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LAMMPS (13 Oct 2016)
# Monte Carlo relaxation of perturbed 2d hex lattice
# set these parameters
# make sure neigh skin > 2*deltamove
variable iter loop 3000 # number of Monte Carlo moves
variable deltaperturb equal 0.2 # max size of initial perturbation per dim
variable deltamove equal 0.1 # max size of MC move in one dimension
variable density equal 1.0 # reduced LJ density of atoms on lattice
variable kT equal 0.05 # effective T in Boltzmann factor
variable seed equal 582783 # RNG seed
# problem setup
units lj
atom_style atomic
atom_modify map array sort 0 0.0
dimension 2
lattice hex ${density}
lattice hex 1
Lattice spacing in x,y,z = 1.07457 1.86121 1.07457
region box block 0 10 0 5 -0.5 0.5
create_box 1 box
Created orthogonal box = (0 0 -0.537285) to (10.7457 9.30605 0.537285)
1 by 1 by 1 MPI processor grid
create_atoms 1 box
Created 100 atoms
mass 1 1.0
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0 2.5
pair_modify shift yes
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
variable e equal pe
# run 0 to get energy of perfect lattice
# emin = minimum energy
run 0
WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 0 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 2.8
ghost atom cutoff = 2.8
binsize = 1.4 -> bins = 8 7 1
Memory usage per processor = 2.35582 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0 -2.9871562 0 -2.9871562 5.8100167
Loop time of 9.53674e-07 on 1 procs for 0 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0 | 0 | 0 | 0.0 | 0.00
Neigh | 0 | 0 | 0 | 0.0 | 0.00
Comm | 0 | 0 | 0 | 0.0 | 0.00
Output | 0 | 0 | 0 | 0.0 | 0.00
Modify | 0 | 0 | 0 | 0.0 | 0.00
Other | | 9.537e-07 | | |100.00
Nlocal: 100 ave 100 max 100 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 164 ave 164 max 164 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 900 ave 900 max 900 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 900
Ave neighs/atom = 9
Neighbor list builds = 0
Dangerous builds = 0
variable emin equal $e
variable emin equal -2.98715616447945
# disorder the system
# estart = initial energy
variable x atom x+v_deltaperturb*random(-1.0,1.0,${seed})
variable x atom x+v_deltaperturb*random(-1.0,1.0,582783)
variable y atom y+v_deltaperturb*random(-1.0,1.0,${seed})
variable y atom y+v_deltaperturb*random(-1.0,1.0,582783)
set group all x v_x
100 settings made for x
set group all y v_y
100 settings made for y
#dump 1 all atom 25 dump.mc
#dump 2 all image 25 image.*.jpg type type # zoom 1.6 adiam 1.0
#dump_modify 2 pad 5
#dump 3 all movie 25 movie.mpg type type # zoom 1.6 adiam 1.0
#dump_modify 3 pad 5
variable elast equal $e
variable elast equal -2.98715616447945
thermo_style custom step v_emin v_elast pe
run 0
WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
Memory usage per processor = 2.35582 Mbytes
Step v_emin v_elast PotEng
0 -2.9871562 -2.9871562 19.87543
Loop time of 0 on 1 procs for 0 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0 | 0 | 0 | 0.0 | 0.00
Neigh | 0 | 0 | 0 | 0.0 | 0.00
Comm | 0 | 0 | 0 | 0.0 | 0.00
Output | 0 | 0 | 0 | 0.0 | 0.00
Modify | 0 | 0 | 0 | 0.0 | 0.00
Other | | 0 | | | 0.00
Nlocal: 100 ave 100 max 100 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 143 ave 143 max 143 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1136 ave 1136 max 1136 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1136
Ave neighs/atom = 11.36
Neighbor list builds = 0
Dangerous builds = 0
variable estart equal $e
variable estart equal 19.8754304552668
variable elast equal $e
variable elast equal 19.8754304552668
# loop over Monte Carlo moves
variable naccept equal 0
variable increment equal v_naccept+1
variable irandom equal floor(atoms*random(0.0,1.0,${seed})+1)
variable irandom equal floor(atoms*random(0.0,1.0,582783)+1)
variable rn equal random(0.0,1.0,${seed})
variable rn equal random(0.0,1.0,582783)
variable boltzfactor equal "exp(atoms*(v_elast - v_e) / v_kT)"
variable xnew equal x[v_i]+v_deltamove*random(-1.0,1.0,${seed})
variable xnew equal x[v_i]+v_deltamove*random(-1.0,1.0,582783)
variable ynew equal y[v_i]+v_deltamove*random(-1.0,1.0,${seed})
variable ynew equal y[v_i]+v_deltamove*random(-1.0,1.0,582783)
variable xi equal x[v_i]
variable yi equal y[v_i]
label loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.31983859300175
variable y0 equal ${yi}
variable y0 equal 5.53878562395769
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.35001522063771
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.45133864824968
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
0 -2.9871562 19.87543 19.87543
1 -2.9871562 19.87543 19.875171
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 19.8751706852663
variable naccept equal ${increment}
variable naccept equal 1
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.09856477419243
variable y0 equal ${yi}
variable y0 equal 7.42882086363101
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.02981423775063
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.522526231673
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1 -2.9871562 19.875171 19.875171
2 -2.9871562 19.875171 20.093202
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.09856477419243
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.42882086363101
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.719713945785428
variable y0 equal ${yi}
variable y0 equal 2.71912268372872
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.722218807140256
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.76135655614236
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2 -2.9871562 19.875171 20.093202
3 -2.9871562 19.875171 19.883001
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.719713945785428
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.71912268372872
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.57807252564852
variable y0 equal ${yi}
variable y0 equal 1.80887765071458
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.51145575204317
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.77417989156312
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
3 -2.9871562 19.875171 19.883001
4 -2.9871562 19.875171 19.834909
Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 19.8349085700656
variable naccept equal ${increment}
variable naccept equal 2
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.92003243803321
variable y0 equal ${yi}
variable y0 equal 0.999847026574939
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.86377175688087
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.979123874414294
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
4 -2.9871562 19.834909 19.834909
5 -2.9871562 19.834909 19.816168
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 19.816167909403
variable naccept equal ${increment}
variable naccept equal 3
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.1098904760664
variable y0 equal ${yi}
variable y0 equal 3.65244479937684
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.0444017084425
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.71522757573259
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
5 -2.9871562 19.816168 19.816168
6 -2.9871562 19.816168 19.778169
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 19.778168827336
variable naccept equal ${increment}
variable naccept equal 4
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.04925338942558
variable y0 equal ${yi}
variable y0 equal 4.83641620034143
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.14046787936241
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.91141740435526
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
6 -2.9871562 19.778169 19.778169
7 -2.9871562 19.778169 19.724242
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 19.7242418002834
variable naccept equal ${increment}
variable naccept equal 5
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.691218562522794
variable y0 equal ${yi}
variable y0 equal 6.6783623887681
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.687206132808591
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.71973626152506
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
7 -2.9871562 19.724242 19.724242
8 -2.9871562 19.724242 19.728461
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.691218562522794
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.6783623887681
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.6696014960461
variable y0 equal ${yi}
variable y0 equal 3.80356412692201
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.6088752349072
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.8839279727472
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
8 -2.9871562 19.724242 19.728461
9 -2.9871562 19.724242 20.466811
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 10.6696014960461
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.80356412692201
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.54691466807443
variable y0 equal ${yi}
variable y0 equal 5.42711579745012
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.50041027783471
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.47833287661272
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
9 -2.9871562 19.724242 20.466811
10 -2.9871562 19.724242 19.599
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 19.5990001780311
variable naccept equal ${increment}
variable naccept equal 6
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.65866128086825
variable y0 equal ${yi}
variable y0 equal 2.87525559636453
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.60067266106387
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.86601213189462
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
10 -2.9871562 19.599 19.599
11 -2.9871562 19.599 19.625342
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.65866128086825
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.87525559636453
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 0.899675980407526
variable y0 equal ${yi}
variable y0 equal 0.0629464387893677
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 0.885172382194331
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 0.0248975276947021
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
11 -2.9871562 19.599 19.625342
12 -2.9871562 19.599 19.596566
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 19.5965661780388
variable naccept equal ${increment}
variable naccept equal 7
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.91530903855011
variable y0 equal ${yi}
variable y0 equal 1.11940745900902
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.93296931067154
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 1.16690846275124
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
12 -2.9871562 19.596566 19.596566
13 -2.9871562 19.596566 19.619881
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.91530903855011
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 1.11940745900902
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.31418604373056
variable y0 equal ${yi}
variable y0 equal 0.0189682483673096
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.27208027361947
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 0.072885262966156
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
13 -2.9871562 19.596566 19.619881
14 -2.9871562 19.596566 19.713104
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.31418604373056
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.0189682483673096
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.3520849827787
variable y0 equal ${yi}
variable y0 equal 6.4551667644166
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.4168390993139
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.54333410994044
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
14 -2.9871562 19.596566 19.713104
15 -2.9871562 19.596566 19.585059
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 19.585058825033
variable naccept equal ${increment}
variable naccept equal 8
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.55511315026705
variable y0 equal ${yi}
variable y0 equal 9.1494782041344
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.59039665618364
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.09379884708255
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
15 -2.9871562 19.585059 19.585059
16 -2.9871562 19.585059 19.670395
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.55511315026705
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.1494782041344
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.87383556564284
variable y0 equal ${yi}
variable y0 equal 1.03382689546379
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.83154005010558
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 1.03624491285118
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
16 -2.9871562 19.585059 19.670395
17 -2.9871562 19.585059 19.251621
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 19.2516210599203
variable naccept equal ${increment}
variable naccept equal 9
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 5.01025660871802
variable y0 equal ${yi}
variable y0 equal 6.54333757893076
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.92266065716086
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.62030437723627
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
17 -2.9871562 19.251621 19.251621
18 -2.9871562 19.251621 19.291111
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 5.01025660871802
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.54333757893076
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.53573410709334
variable y0 equal ${yi}
variable y0 equal 4.500105766
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.57122090061141
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.51594142073557
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
18 -2.9871562 19.251621 19.291111
19 -2.9871562 19.251621 19.124928
Loop time of 3.91006e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 19.1249278346859
variable naccept equal ${increment}
variable naccept equal 10
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.39024022657644
variable y0 equal ${yi}
variable y0 equal 5.48026459162432
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.43141517479192
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.56478210632998
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
19 -2.9871562 19.124928 19.124928
20 -2.9871562 19.124928 19.070456
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 19.0704555558795
variable naccept equal ${increment}
variable naccept equal 11
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 7.0883078245227
variable y0 equal ${yi}
variable y0 equal 8.34910107769069
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.05518697777435
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.4427619925886
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
20 -2.9871562 19.070456 19.070456
21 -2.9871562 19.070456 19.073796
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 7.0883078245227
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.34910107769069
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.23512814441587
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.4514672311809
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
21 -2.9871562 19.070456 19.073796
22 -2.9871562 19.070456 19.11176
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.99629238485633
variable y0 equal ${yi}
variable y0 equal 2.89414590569833
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 5.01660313247977
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.96598122092584
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
22 -2.9871562 19.070456 19.11176
23 -2.9871562 19.070456 19.117671
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.99629238485633
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.89414590569833
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.22011345068322
variable y0 equal ${yi}
variable y0 equal 5.54479777758318
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.14360496441231
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.58843240683275
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
23 -2.9871562 19.070456 19.117671
24 -2.9871562 19.070456 19.074151
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.22011345068322
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.54479777758318
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.2201821148286
variable y0 equal ${yi}
variable y0 equal 8.21731802143153
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.16465403436519
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.25818215526637
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
24 -2.9871562 19.070456 19.074151
25 -2.9871562 19.070456 18.515789
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 18.5157889451195
variable naccept equal ${increment}
variable naccept equal 12
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.57122090061141
variable y0 equal ${yi}
variable y0 equal 4.51594142073557
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.47387929161025
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.48001798743174
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
25 -2.9871562 18.515789 18.515789
26 -2.9871562 18.515789 19.13036
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.57122090061141
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.51594142073557
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.35441081046182
variable y0 equal ${yi}
variable y0 equal 2.03853301189011
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.40621244429666
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 2.0462150373227
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
26 -2.9871562 18.515789 19.13036
27 -2.9871562 18.515789 17.937864
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 17.937864254582
variable naccept equal ${increment}
variable naccept equal 13
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.29210563102628
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.44114682998919
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
27 -2.9871562 17.937864 17.937864
28 -2.9871562 17.937864 17.956965
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.14046787936241
variable y0 equal ${yi}
variable y0 equal 4.91141740435526
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.21031779963524
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.89201650971338
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
28 -2.9871562 17.937864 17.956965
29 -2.9871562 17.937864 17.932203
Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 17.9322028336925
variable naccept equal ${increment}
variable naccept equal 14
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.71809613902999
variable y0 equal ${yi}
variable y0 equal 6.45324923531046
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.65725789268447
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.50960343615046
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
29 -2.9871562 17.932203 17.932203
30 -2.9871562 17.932203 17.93442
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.71809613902999
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.45324923531046
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.76917257507277
variable y0 equal ${yi}
variable y0 equal 2.98904126855233
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.86858709056807
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.95837806435922
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
30 -2.9871562 17.932203 17.93442
31 -2.9871562 17.932203 18.035828
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.76917257507277
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.98904126855233
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.52707438865567
variable y0 equal ${yi}
variable y0 equal 1.99075993678635
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.47277832427884
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 2.00024406097001
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
31 -2.9871562 17.932203 18.035828
32 -2.9871562 17.932203 17.784445
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 17.7844447623833
variable naccept equal ${increment}
variable naccept equal 15
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.06676752287895
variable y0 equal ${yi}
variable y0 equal 8.34106284297999
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.1440482588485
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.36340260423716
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
32 -2.9871562 17.784445 17.784445
33 -2.9871562 17.784445 17.692888
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 17.6928883978573
variable naccept equal ${increment}
variable naccept equal 16
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.27723546424772
variable y0 equal ${yi}
variable y0 equal 9.22775135743945
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 9.3120599697861
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
33 -2.9871562 17.692888 17.692888
34 -2.9871562 17.692888 17.679107
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 17.6791071684474
variable naccept equal ${increment}
variable naccept equal 17
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.74866355538149
variable y0 equal ${yi}
variable y0 equal 0.808928366411059
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.79875581145068
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.772582419622272
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
34 -2.9871562 17.679107 17.679107
35 -2.9871562 17.679107 19.412672
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.74866355538149
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.808928366411059
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.30660796562101
variable y0 equal ${yi}
variable y0 equal 5.55641617720324
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.37099469104673
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.65502952282625
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
35 -2.9871562 17.679107 19.412672
36 -2.9871562 17.679107 17.564301
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 17.5643012965518
variable naccept equal ${increment}
variable naccept equal 18
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 6.09745645482532
variable y0 equal ${yi}
variable y0 equal 6.65534045235148
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 6.07316641767017
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.61742822662821
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
36 -2.9871562 17.564301 17.564301
37 -2.9871562 17.564301 17.084321
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 17.0843208121854
variable naccept equal ${increment}
variable naccept equal 19
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.01283839343883
variable y0 equal ${yi}
variable y0 equal 6.39706618324747
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.07761350272991
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.34006187454691
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
37 -2.9871562 17.084321 17.084321
38 -2.9871562 17.084321 18.06914
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.01283839343883
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.39706618324747
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.32428281027824
variable y0 equal ${yi}
variable y0 equal 2.640500294889
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.38390898425133
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.55098098489144
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
38 -2.9871562 17.084321 18.06914
39 -2.9871562 17.084321 18.393968
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.32428281027824
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.640500294889
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.31418604373056
variable y0 equal ${yi}
variable y0 equal 0.0189682483673096
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.29888965605814
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 0.0863850116729737
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
39 -2.9871562 17.084321 18.393968
40 -2.9871562 17.084321 17.191907
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.31418604373056
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.0189682483673096
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.05527156868621
variable y0 equal ${yi}
variable y0 equal 4.53311400765344
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.02028425017044
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.49638266915247
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
40 -2.9871562 17.084321 17.191907
41 -2.9871562 17.084321 17.115815
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.05527156868621
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.53311400765344
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.8571848150014
variable y0 equal ${yi}
variable y0 equal 0.822012730348437
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.86131451089374
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.740698393094867
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
41 -2.9871562 17.084321 17.115815
42 -2.9871562 17.084321 17.252873
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.8571848150014
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.822012730348437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.31418604373056
variable y0 equal ${yi}
variable y0 equal 0.0189682483673096
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.31983832835275
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y -0.0248208999633789
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
42 -2.9871562 17.084321 17.252873
43 -2.9871562 17.084321 17.066264
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 17.0662643354193
variable naccept equal ${increment}
variable naccept equal 20
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.91530903855011
variable y0 equal ${yi}
variable y0 equal 1.11940745900902
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.85535389462158
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 1.0833966691378
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
43 -2.9871562 17.066264 17.066264
44 -2.9871562 17.066264 17.057026
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 17.057026355521
variable naccept equal ${increment}
variable naccept equal 21
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.84272302905207
variable y0 equal ${yi}
variable y0 equal 8.33777378715571
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.79234360972529
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.42946973957118
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
44 -2.9871562 17.057026 17.057026
45 -2.9871562 17.057026 16.843591
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 16.8435907942567
variable naccept equal ${increment}
variable naccept equal 22
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.20307075738469
variable y0 equal ${yi}
variable y0 equal 9.20901408899158
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.16256167649785
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 9.14184566247791
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
45 -2.9871562 16.843591 16.843591
46 -2.9871562 16.843591 18.617009
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.20307075738469
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 9.20901408899158
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 0.921552959281733
variable y0 equal ${yi}
variable y0 equal 7.62894815531039
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 0.896000686485102
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.60953246679568
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
46 -2.9871562 16.843591 18.617009
47 -2.9871562 16.843591 16.445061
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 16.4450605937769
variable naccept equal ${increment}
variable naccept equal 23
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.41438506681692
variable y0 equal ${yi}
variable y0 equal 1.98046206615037
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.39196330148946
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 2.04386005780762
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
47 -2.9871562 16.445061 16.445061
48 -2.9871562 16.445061 17.257636
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 35 x ${x0}
set atom 35 x 7.41438506681692
1 settings made for x
set atom $i y ${y0}
set atom 35 y ${y0}
set atom 35 y 1.98046206615037
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.21031779963524
variable y0 equal ${yi}
variable y0 equal 4.89201650971338
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.19671131093056
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.96256972903177
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
48 -2.9871562 16.445061 17.257636
49 -2.9871562 16.445061 16.489479
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.21031779963524
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.89201650971338
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 1.02839840968304
variable y0 equal ${yi}
variable y0 equal 5.71279270594316
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 0.976716128188898
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.65420879070955
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
49 -2.9871562 16.445061 16.489479
50 -2.9871562 16.445061 16.408654
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 16.4086538722685
variable naccept equal ${increment}
variable naccept equal 24
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.37631308554727
variable y0 equal ${yi}
variable y0 equal 7.36138624277377
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.39294121979791
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.42644421186709
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
50 -2.9871562 16.408654 16.408654
51 -2.9871562 16.408654 16.122104
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 16.1221040480217
variable naccept equal ${increment}
variable naccept equal 25
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 7.9432972490678
variable y0 equal ${yi}
variable y0 equal 2.61277595731118
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.01059742568828
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.53279972049096
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
51 -2.9871562 16.122104 16.122104
52 -2.9871562 16.122104 16.135223
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 7.9432972490678
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.61277595731118
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.72210182467585
variable y0 equal ${yi}
variable y0 equal 2.743234502996
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.71409282008296
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.80584219666818
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
52 -2.9871562 16.122104 16.135223
53 -2.9871562 16.122104 16.055103
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2380.7% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 16.0551027060988
variable naccept equal ${increment}
variable naccept equal 26
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.52176420846407
variable y0 equal ${yi}
variable y0 equal 5.75549187605577
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.50292923608248
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.70168124382692
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
53 -2.9871562 16.055103 16.055103
54 -2.9871562 16.055103 15.919408
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 15.9194082271283
variable naccept equal ${increment}
variable naccept equal 27
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1794071558973
variable y0 equal ${yi}
variable y0 equal 2.92664810391763
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1943303588887
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.96711560460427
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
54 -2.9871562 15.919408 15.919408
55 -2.9871562 15.919408 16.097649
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1794071558973
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.92664810391763
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.70685690521975
variable y0 equal ${yi}
variable y0 equal 4.57956161850854
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.61105832934161
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.50049876326486
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
55 -2.9871562 15.919408 16.097649
56 -2.9871562 15.919408 15.829413
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 15.8294126732767
variable naccept equal ${increment}
variable naccept equal 28
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 6.07316641767017
variable y0 equal ${yi}
variable y0 equal 6.61742822662821
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 6.05597597320072
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.6133103562974
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
56 -2.9871562 15.829413 15.829413
57 -2.9871562 15.829413 15.808217
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 15.808217339173
variable naccept equal ${increment}
variable naccept equal 29
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.36135188181173
variable y0 equal ${yi}
variable y0 equal 0.154561471939087
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.40439954836141
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.238874340057373
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
57 -2.9871562 15.808217 15.808217
58 -2.9871562 15.808217 15.864804
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.36135188181173
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.154561471939087
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.05527156868621
variable y0 equal ${yi}
variable y0 equal 4.53311400765344
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.01640323677703
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.60422450655862
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
58 -2.9871562 15.808217 15.864804
59 -2.9871562 15.808217 15.817571
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.05527156868621
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.53311400765344
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.2862324360868
variable y0 equal ${yi}
variable y0 equal 4.57200613373682
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.1877771977445
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.48406249636575
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
59 -2.9871562 15.808217 15.817571
60 -2.9871562 15.808217 15.700676
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 15.7006759604578
variable naccept equal ${increment}
variable naccept equal 30
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.17682720501634
variable y0 equal ${yi}
variable y0 equal 1.78538526675767
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.16004684050294
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.69950210235184
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
60 -2.9871562 15.700676 15.700676
61 -2.9871562 15.700676 16.255007
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.17682720501634
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.78538526675767
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.99629238485633
variable y0 equal ${yi}
variable y0 equal 2.89414590569833
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.92452969192802
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.87330106469491
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
61 -2.9871562 15.700676 16.255007
62 -2.9871562 15.700676 15.678683
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 15.6786834685776
variable naccept equal ${increment}
variable naccept equal 31
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.48253180264112
variable y0 equal ${yi}
variable y0 equal 1.83061694285935
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.39330142019865
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.86790424964493
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
62 -2.9871562 15.678683 15.678683
63 -2.9871562 15.678683 16.142272
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.48253180264112
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.83061694285935
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.59728396335508
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.82835243506563
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
63 -2.9871562 15.678683 16.142272
64 -2.9871562 15.678683 16.399166
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.50292923608248
variable y0 equal ${yi}
variable y0 equal 5.70168124382692
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.50696252742235
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.69319788162904
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
64 -2.9871562 15.678683 16.399166
65 -2.9871562 15.678683 15.653887
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 15.6538869035135
variable naccept equal ${increment}
variable naccept equal 32
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.22457233985119
variable y0 equal ${yi}
variable y0 equal 1.83873361728257
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.28295802195721
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.93527294776505
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
65 -2.9871562 15.653887 15.653887
66 -2.9871562 15.653887 15.791721
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.22457233985119
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.83873361728257
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.69912415623446
variable y0 equal ${yi}
variable y0 equal 8.28526519455012
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.60833325266619
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.19496456302699
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
66 -2.9871562 15.653887 15.791721
67 -2.9871562 15.653887 15.746238
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.69912415623446
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.28526519455012
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.20307075738469
variable y0 equal ${yi}
variable y0 equal 9.20901408899158
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.22592073440114
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 9.17865097034305
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
67 -2.9871562 15.653887 15.746238
68 -2.9871562 15.653887 15.88039
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.20307075738469
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 9.20901408899158
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.47277832427884
variable y0 equal ${yi}
variable y0 equal 2.00024406097001
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.44531484046842
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 2.01137088916367
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
68 -2.9871562 15.653887 15.88039
69 -2.9871562 15.653887 15.619008
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 15.6190081436482
variable naccept equal ${increment}
variable naccept equal 33
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.54015185116407
variable y0 equal ${yi}
variable y0 equal 0.168617224693298
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.45775363920805
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.216169250011444
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
69 -2.9871562 15.619008 15.619008
70 -2.9871562 15.619008 15.74545
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.54015185116407
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.168617224693298
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.597638221183683
variable y0 equal ${yi}
variable y0 equal 0.891803069818347
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.572734029689695
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.878126867521136
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
70 -2.9871562 15.619008 15.74545
71 -2.9871562 15.619008 15.661858
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.597638221183683
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.891803069818347
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.79234360972529
variable y0 equal ${yi}
variable y0 equal 8.42946973957118
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.74200649777537
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.32967373050746
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
71 -2.9871562 15.619008 15.661858
72 -2.9871562 15.619008 15.544182
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 15.5441819243733
variable naccept equal ${increment}
variable naccept equal 34
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.0444017084425
variable y0 equal ${yi}
variable y0 equal 3.71522757573259
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.04860306103878
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.65718537135255
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
72 -2.9871562 15.544182 15.544182
73 -2.9871562 15.544182 15.549793
Loop time of 4.22001e-05 on 1 procs for 1 steps with 100 atoms
2369.7% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.0444017084425
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.71522757573259
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.53735357362997
variable y0 equal ${yi}
variable y0 equal 7.25324172106051
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.54873728592168
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.27825465526843
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
73 -2.9871562 15.544182 15.549793
74 -2.9871562 15.544182 15.346422
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 15.3464223960326
variable naccept equal ${increment}
variable naccept equal 35
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.41438506681692
variable y0 equal ${yi}
variable y0 equal 1.98046206615037
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.35008210975897
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.97732270143098
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
74 -2.9871562 15.346422 15.346422
75 -2.9871562 15.346422 15.331607
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 15.3316072264054
variable naccept equal ${increment}
variable naccept equal 36
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.15227542518474
variable y0 equal ${yi}
variable y0 equal 4.80270715111658
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.21343764661648
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.89761152619287
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
75 -2.9871562 15.331607 15.331607
76 -2.9871562 15.331607 15.513652
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.15227542518474
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.80270715111658
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.80754771192066
variable y0 equal ${yi}
variable y0 equal 8.45637873329219
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.87912615497104
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.41373176492747
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
76 -2.9871562 15.331607 15.513652
77 -2.9871562 15.331607 15.318751
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 15.3187511886141
variable naccept equal ${increment}
variable naccept equal 37
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 0.976716128188898
variable y0 equal ${yi}
variable y0 equal 5.65420879070955
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 0.887988367873957
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.60655434076982
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
77 -2.9871562 15.318751 15.318751
78 -2.9871562 15.318751 15.314358
Loop time of 8.60691e-05 on 1 procs for 1 steps with 100 atoms
1161.9% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 15.314358370265
variable naccept equal ${increment}
variable naccept equal 38
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 6.00016524751178
variable y0 equal ${yi}
variable y0 equal 2.67780595990518
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 6.06487773616306
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.61280487748483
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
78 -2.9871562 15.314358 15.314358
79 -2.9871562 15.314358 19.512471
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 6.00016524751178
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.67780595990518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.17682720501634
variable y0 equal ${yi}
variable y0 equal 1.78538526675767
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.16316989739152
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.7050789870984
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
79 -2.9871562 15.314358 19.512471
80 -2.9871562 15.314358 15.784741
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.17682720501634
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.78538526675767
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.31983832835275
variable y0 equal ${yi}
variable y0 equal 9.28122769105762
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.21995478390771
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 9.22031201827853
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
80 -2.9871562 15.314358 15.784741
81 -2.9871562 15.314358 15.462076
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.31983832835275
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 9.28122769105762
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.57876513162081
variable y0 equal ${yi}
variable y0 equal 7.53226324644351
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.51479177632753
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.56551697578692
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
81 -2.9871562 15.314358 15.462076
82 -2.9871562 15.314358 15.746913
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.57876513162081
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.53226324644351
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.17682720501634
variable y0 equal ${yi}
variable y0 equal 1.78538526675767
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.2623671062729
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.85691285512513
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
82 -2.9871562 15.314358 15.746913
83 -2.9871562 15.314358 14.971079
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 14.9710790303358
variable naccept equal ${increment}
variable naccept equal 39
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.8703564425273
variable y0 equal ${yi}
variable y0 equal 8.50065911926326
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.8279687305255
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.59655821241435
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
83 -2.9871562 14.971079 14.971079
84 -2.9871562 14.971079 16.13744
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.8703564425273
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.50065911926326
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.01283839343883
variable y0 equal ${yi}
variable y0 equal 6.39706618324747
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 7.94544293283321
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.48969872728815
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
84 -2.9871562 14.971079 16.13744
85 -2.9871562 14.971079 15.234046
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.01283839343883
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.39706618324747
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 10.5731039603405
variable y0 equal ${yi}
variable y0 equal 7.57943922605776
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 10.6470764477902
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.51150325861239
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
85 -2.9871562 14.971079 15.234046
86 -2.9871562 14.971079 13.371714
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 13.3717143943283
variable naccept equal ${increment}
variable naccept equal 40
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.01283839343883
variable y0 equal ${yi}
variable y0 equal 6.39706618324747
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 7.951291269053
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.39620396629801
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
86 -2.9871562 13.371714 13.371714
87 -2.9871562 13.371714 13.507722
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.01283839343883
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.39706618324747
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 0.0309651374816895
variable y0 equal ${yi}
variable y0 equal 1.96139423034257
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 0.123249912261963
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 2.03073950192994
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
87 -2.9871562 13.371714 13.507722
88 -2.9871562 13.371714 13.432287
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 0.0309651374816895
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.96139423034257
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.36135188181173
variable y0 equal ${yi}
variable y0 equal 0.154561471939087
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.29896671612035
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.125383043289185
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
88 -2.9871562 13.371714 13.432287
89 -2.9871562 13.371714 13.37654
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.36135188181173
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.154561471939087
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.54873728592168
variable y0 equal ${yi}
variable y0 equal 7.27825465526843
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.50556490261327
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.29452756967807
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
89 -2.9871562 13.371714 13.37654
90 -2.9871562 13.371714 13.396668
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.54873728592168
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.27825465526843
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.74200649777537
variable y0 equal ${yi}
variable y0 equal 8.32967373050746
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.80932480612879
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.37676050581035
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
90 -2.9871562 13.371714 13.396668
91 -2.9871562 13.371714 13.481318
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.74200649777537
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.32967373050746
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.61105832934161
variable y0 equal ${yi}
variable y0 equal 4.50049876326486
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.65689190506717
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.55132408493921
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
91 -2.9871562 13.371714 13.481318
92 -2.9871562 13.371714 13.384102
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.61105832934161
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.50049876326486
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.15227542518474
variable y0 equal ${yi}
variable y0 equal 4.80270715111658
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.09806734918453
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.89080031269953
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
92 -2.9871562 13.371714 13.384102
93 -2.9871562 13.371714 13.451122
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.15227542518474
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.80270715111658
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.28054653485032
variable y0 equal ${yi}
variable y0 equal 7.33721760835909
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.35654126484605
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.29389964666628
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
93 -2.9871562 13.371714 13.451122
94 -2.9871562 13.371714 13.36252
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 13.3625195456059
variable naccept equal ${increment}
variable naccept equal 41
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.6696014960461
variable y0 equal ${yi}
variable y0 equal 3.80356412692201
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.6815487464123
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.78250859542024
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
94 -2.9871562 13.36252 13.36252
95 -2.9871562 13.36252 13.276398
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 13.2763982745436
variable naccept equal ${increment}
variable naccept equal 42
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.13949825524846
variable y0 equal ${yi}
variable y0 equal 3.73067882819307
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.20205316304722
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.68541614575517
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
95 -2.9871562 13.276398 13.276398
96 -2.9871562 13.276398 13.304984
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.13949825524846
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73067882819307
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.64088147520362
variable y0 equal ${yi}
variable y0 equal 8.33223794616755
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.66856847643195
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.24330494321879
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
96 -2.9871562 13.276398 13.304984
97 -2.9871562 13.276398 13.245349
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 13.2453493073179
variable naccept equal ${increment}
variable naccept equal 43
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.50041027783471
variable y0 equal ${yi}
variable y0 equal 5.47833287661272
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.43841152905541
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.38113276903826
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
97 -2.9871562 13.245349 13.245349
98 -2.9871562 13.245349 13.304411
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.50041027783471
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.47833287661272
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.691218562522794
variable y0 equal ${yi}
variable y0 equal 6.6783623887681
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.688873763481046
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.59225244060984
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
98 -2.9871562 13.245349 13.304411
99 -2.9871562 13.245349 13.245751
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.691218562522794
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.6783623887681
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.86882879058009
variable y0 equal ${yi}
variable y0 equal 4.49039562100336
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.82950385132914
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.44320981854364
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
99 -2.9871562 13.245349 13.245751
100 -2.9871562 13.245349 13.872909
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.86882879058009
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.49039562100336
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.94675312637188
variable y0 equal ${yi}
variable y0 equal 0.975284381616443
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.85483614801265
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.935654624212115
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
100 -2.9871562 13.245349 13.872909
101 -2.9871562 13.245349 13.281114
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.94675312637188
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.975284381616443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4168390993139
variable y0 equal ${yi}
variable y0 equal 6.54333410994044
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.4814478401205
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.59063038364878
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
101 -2.9871562 13.245349 13.281114
102 -2.9871562 13.245349 13.293205
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.4168390993139
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.54333410994044
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.22011345068322
variable y0 equal ${yi}
variable y0 equal 5.54479777758318
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.12992211023675
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.55094037001329
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
102 -2.9871562 13.245349 13.293205
103 -2.9871562 13.245349 13.242379
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 13.242379165856
variable naccept equal ${increment}
variable naccept equal 44
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.3339799050351
variable y0 equal ${yi}
variable y0 equal 0.744276662576526
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.4212697986623
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.796889229524463
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
103 -2.9871562 13.242379 13.242379
104 -2.9871562 13.242379 13.349733
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.3339799050351
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.744276662576526
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.594766421714689
variable y0 equal ${yi}
variable y0 equal 8.21549125827845
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.527979464927579
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.19242875494059
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
104 -2.9871562 13.242379 13.349733
105 -2.9871562 13.242379 12.461034
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 12.4610338734105
variable naccept equal ${increment}
variable naccept equal 45
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.419449497847
variable y0 equal ${yi}
variable y0 equal 3.62166059775483
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.40479648271028
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.54822523160112
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
105 -2.9871562 12.461034 12.461034
106 -2.9871562 12.461034 12.467421
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.419449497847
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.62166059775483
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.54873728592168
variable y0 equal ${yi}
variable y0 equal 7.27825465526843
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.53773168165456
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.2000207456615
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
106 -2.9871562 12.461034 12.467421
107 -2.9871562 12.461034 13.307672
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.54873728592168
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.27825465526843
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.44531484046842
variable y0 equal ${yi}
variable y0 equal 2.01137088916367
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.42411584058668
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 2.07943400523728
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
107 -2.9871562 12.461034 13.307672
108 -2.9871562 12.461034 12.605924
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.44531484046842
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 2.01137088916367
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.59410093903323
variable y0 equal ${yi}
variable y0 equal 6.46312946812144
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.64847751736422
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.37148375050059
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
108 -2.9871562 12.461034 12.605924
109 -2.9871562 12.461034 12.45495
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 12.4549496864804
variable naccept equal ${increment}
variable naccept equal 46
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.50041027783471
variable y0 equal ${yi}
variable y0 equal 5.47833287661272
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.54533034085351
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.50049914066988
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
109 -2.9871562 12.45495 12.45495
110 -2.9871562 12.45495 12.50259
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.50041027783471
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.47833287661272
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 10.6470764477902
variable y0 equal ${yi}
variable y0 equal 7.51150325861239
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 10.6754496176892
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.60846348133349
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
110 -2.9871562 12.45495 12.50259
111 -2.9871562 12.45495 13.081006
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 10.6470764477902
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.51150325861239
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 0.896000686485102
variable y0 equal ${yi}
variable y0 equal 7.60953246679568
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 0.985528353053858
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.55206439819598
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
111 -2.9871562 12.45495 13.081006
112 -2.9871562 12.45495 9.9091407
Loop time of 4.48227e-05 on 1 procs for 1 steps with 100 atoms
2231.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 9.90914065684474
variable naccept equal ${increment}
variable naccept equal 47
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1877771977445
variable y0 equal ${yi}
variable y0 equal 4.48406249636575
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.2380439404508
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.52093809002801
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
112 -2.9871562 9.9091407 9.9091407
113 -2.9871562 9.9091407 9.9497806
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.1877771977445
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.48406249636575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.14111500421868
variable y0 equal ${yi}
variable y0 equal 1.98998316905564
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.06427707115517
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.93772786042756
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
113 -2.9871562 9.9091407 9.9497806
114 -2.9871562 9.9091407 10.064562
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.14111500421868
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.98998316905564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.6815487464123
variable y0 equal ${yi}
variable y0 equal 3.78250859542024
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.6216757496052
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.83365273041856
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
114 -2.9871562 9.9091407 10.064562
115 -2.9871562 9.9091407 10.360792
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 10.6815487464123
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.78250859542024
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.597638221183683
variable y0 equal ${yi}
variable y0 equal 0.891803069818347
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.52676308909979
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.823071666467517
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
115 -2.9871562 9.9091407 10.360792
116 -2.9871562 9.9091407 10.239801
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.597638221183683
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.891803069818347
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 0.985528353053858
variable y0 equal ${yi}
variable y0 equal 7.55206439819598
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.04383342583828
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.5002349170711
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
116 -2.9871562 9.9091407 10.239801
117 -2.9871562 9.9091407 9.5402972
Loop time of 8.08239e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 9.54029724373944
variable naccept equal ${increment}
variable naccept equal 48
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.01283839343883
variable y0 equal ${yi}
variable y0 equal 6.39706618324747
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.07909467815258
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.35858189598551
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
117 -2.9871562 9.5402972 9.5402972
118 -2.9871562 9.5402972 9.8183664
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.01283839343883
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.39706618324747
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.71175088165876
variable y0 equal ${yi}
variable y0 equal 5.71374509279924
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.79798826454756
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.67971620505053
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
118 -2.9871562 9.5402972 9.8183664
119 -2.9871562 9.5402972 9.8492529
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.71175088165876
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.71374509279924
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.37099469104673
variable y0 equal ${yi}
variable y0 equal 5.65502952282625
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.41478751102354
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.59315191452699
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
119 -2.9871562 9.5402972 9.8492529
120 -2.9871562 9.5402972 9.4768991
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 9.4768990790871
variable naccept equal ${increment}
variable naccept equal 49
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.54015185116407
variable y0 equal ${yi}
variable y0 equal 0.168617224693298
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.56837063311216
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.265781927108764
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
120 -2.9871562 9.4768991 9.4768991
121 -2.9871562 9.4768991 9.6308359
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.54015185116407
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.168617224693298
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.35271770715275
variable y0 equal ${yi}
variable y0 equal 1.94840015552109
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.27988629102269
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.9303872742421
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
121 -2.9871562 9.4768991 9.6308359
122 -2.9871562 9.4768991 9.3889772
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 9.38897721078508
variable naccept equal ${increment}
variable naccept equal 50
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.22457233985119
variable y0 equal ${yi}
variable y0 equal 1.83873361728257
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.15621249993496
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.78515173575944
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
122 -2.9871562 9.3889772 9.3889772
123 -2.9871562 9.3889772 9.3524938
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 9.35249384206181
variable naccept equal ${increment}
variable naccept equal 51
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.46731475670548
variable y0 equal ${yi}
variable y0 equal 5.64477279131609
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.37933925469132
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.58286277001101
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
123 -2.9871562 9.3524938 9.3524938
124 -2.9871562 9.3524938 9.3251733
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 9.32517327292235
variable naccept equal ${increment}
variable naccept equal 52
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87912615497104
variable y0 equal ${yi}
variable y0 equal 8.41373176492747
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.83310471732608
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.3484317771345
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
124 -2.9871562 9.3251733 9.3251733
125 -2.9871562 9.3251733 9.3137238
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 9.31372376133017
variable naccept equal ${increment}
variable naccept equal 53
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.51145575204317
variable y0 equal ${yi}
variable y0 equal 1.77417989156312
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.49052609363024
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.73099848411149
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
125 -2.9871562 9.3137238 9.3137238
126 -2.9871562 9.3137238 9.3387396
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 37 x ${x0}
set atom 37 x 8.51145575204317
1 settings made for x
set atom $i y ${y0}
set atom 37 y ${y0}
set atom 37 y 1.77417989156312
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.51145575204317
variable y0 equal ${yi}
variable y0 equal 1.77417989156312
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.47753489175264
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.75162885568208
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
126 -2.9871562 9.3137238 9.3387396
127 -2.9871562 9.3137238 9.3215941
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 37 x ${x0}
set atom 37 x 8.51145575204317
1 settings made for x
set atom $i y ${y0}
set atom 37 y ${y0}
set atom 37 y 1.77417989156312
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.6815487464123
variable y0 equal ${yi}
variable y0 equal 3.78250859542024
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.6481216033154
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.81310667557847
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
127 -2.9871562 9.3137238 9.3215941
128 -2.9871562 9.3137238 9.5050169
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 10.6815487464123
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.78250859542024
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.2401395205518
variable y0 equal ${yi}
variable y0 equal 8.23530813373622
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.2719170216581
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.16867905773219
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
128 -2.9871562 9.3137238 9.5050169
129 -2.9871562 9.3137238 10.073652
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.2401395205518
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.23530813373622
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.54015185116407
variable y0 equal ${yi}
variable y0 equal 0.168617224693298
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.46655616043684
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.227990245819091
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
129 -2.9871562 9.3137238 10.073652
130 -2.9871562 9.3137238 9.4593093
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.54015185116407
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.168617224693298
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.597638221183683
variable y0 equal ${yi}
variable y0 equal 0.891803069818347
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.606322498718168
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.941124983537524
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
130 -2.9871562 9.3137238 9.4593093
131 -2.9871562 9.3137238 9.251533
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 9.2515329646073
variable naccept equal ${increment}
variable naccept equal 54
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.71409282008296
variable y0 equal ${yi}
variable y0 equal 2.80584219666818
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.64134437361842
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.87343476983407
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
131 -2.9871562 9.251533 9.251533
132 -2.9871562 9.251533 9.3419648
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.71409282008296
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.80584219666818
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4168390993139
variable y0 equal ${yi}
variable y0 equal 6.54333410994044
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.5049234632513
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.4448203875207
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
132 -2.9871562 9.251533 9.3419648
133 -2.9871562 9.251533 9.271343
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.4168390993139
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.54333410994044
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 0.066135311126709
variable y0 equal ${yi}
variable y0 equal 0.139699840545654
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 0.0268441557884216
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 0.0427583456039429
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
133 -2.9871562 9.251533 9.271343
134 -2.9871562 9.251533 8.6541619
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 8.65416194569174
variable naccept equal ${increment}
variable naccept equal 55
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.05527156868621
variable y0 equal ${yi}
variable y0 equal 4.53311400765344
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.06535048762008
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.46345469111368
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
134 -2.9871562 8.6541619 8.6541619
135 -2.9871562 8.6541619 8.7218577
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.05527156868621
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.53311400765344
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 10.6470764477902
variable y0 equal ${yi}
variable y0 equal 7.51150325861239
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 10.641802700346
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.50461242523455
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
135 -2.9871562 8.6541619 8.7218577
136 -2.9871562 8.6541619 8.6617212
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 10.6470764477902
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.51150325861239
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.13949825524846
variable y0 equal ${yi}
variable y0 equal 3.73067882819307
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.10655145406285
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.63133331103456
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
136 -2.9871562 8.6541619 8.6617212
137 -2.9871562 8.6541619 10.001498
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.13949825524846
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73067882819307
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 7.08713871517822
variable y0 equal ${yi}
variable y0 equal 2.7411466714988
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 7.0394436744754
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.83307024213174
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
137 -2.9871562 8.6541619 10.001498
138 -2.9871562 8.6541619 8.2886706
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 8.28867060874022
variable naccept equal ${increment}
variable naccept equal 56
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.36135188181173
variable y0 equal ${yi}
variable y0 equal 0.154561471939087
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.44501340229284
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.0728780150413514
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
138 -2.9871562 8.2886706 8.2886706
139 -2.9871562 8.2886706 8.278468
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 8.27846801230653
variable naccept equal ${increment}
variable naccept equal 57
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.8703564425273
variable y0 equal ${yi}
variable y0 equal 8.50065911926326
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.94478988845778
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.48998140014705
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
139 -2.9871562 8.278468 8.278468
140 -2.9871562 8.278468 8.7749947
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.8703564425273
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.50065911926326
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.389929051795865
variable y0 equal ${yi}
variable y0 equal 4.66520722264215
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.316682513156797
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.62680411690637
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
140 -2.9871562 8.278468 8.7749947
141 -2.9871562 8.278468 8.3937123
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 42 x ${x0}
set atom 42 x 0.389929051795865
1 settings made for x
set atom $i y ${y0}
set atom 42 y ${y0}
set atom 42 y 4.66520722264215
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 10.6470764477902
variable y0 equal ${yi}
variable y0 equal 7.51150325861239
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 10.6813830812626
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.44148362007403
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
141 -2.9871562 8.278468 8.3937123
142 -2.9871562 8.278468 7.9824733
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 7.98247329251231
variable naccept equal ${increment}
variable naccept equal 58
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.41063080866109
variable y0 equal ${yi}
variable y0 equal 3.65039785666597
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.38310707647573
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.65719100995195
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
142 -2.9871562 7.9824733 7.9824733
143 -2.9871562 7.9824733 7.9971831
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.41063080866109
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.65039785666597
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.74200649777537
variable y0 equal ${yi}
variable y0 equal 8.32967373050746
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.70020593920832
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.34872350610789
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
143 -2.9871562 7.9824733 7.9971831
144 -2.9871562 7.9824733 8.0803193
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.74200649777537
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.32967373050746
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.13253129164086
variable y0 equal ${yi}
variable y0 equal 3.65379038615358
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.17428057829247
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.74710704846513
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
144 -2.9871562 7.9824733 8.0803193
145 -2.9871562 7.9824733 8.056944
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.13253129164086
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.65379038615358
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41478751102354
variable y0 equal ${yi}
variable y0 equal 5.59315191452699
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.45365178981688
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.53061765377717
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
145 -2.9871562 7.9824733 8.056944
146 -2.9871562 7.9824733 7.9762075
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 7.97620745706615
variable naccept equal ${increment}
variable naccept equal 59
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.8571848150014
variable y0 equal ${yi}
variable y0 equal 0.822012730348437
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.84693380553714
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.812763066995471
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
146 -2.9871562 7.9762075 7.9762075
147 -2.9871562 7.9762075 7.983808
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.8571848150014
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.822012730348437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 7.0883078245227
variable y0 equal ${yi}
variable y0 equal 8.34910107769069
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.1804837969844
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.27973550476131
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
147 -2.9871562 7.9762075 7.983808
148 -2.9871562 7.9762075 7.9940035
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 7.0883078245227
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.34910107769069
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.31294931887704
variable y0 equal ${yi}
variable y0 equal 3.57663958830964
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.34927348612863
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.632499070598
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
148 -2.9871562 7.9762075 7.9940035
149 -2.9871562 7.9762075 7.8605288
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 7.86052884369097
variable naccept equal ${increment}
variable naccept equal 60
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.32428281027824
variable y0 equal ${yi}
variable y0 equal 2.640500294889
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.26134668309242
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.72465627166131
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
149 -2.9871562 7.8605288 7.8605288
150 -2.9871562 7.8605288 7.6199238
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 7.61992377997629
variable naccept equal ${increment}
variable naccept equal 61
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4168390993139
variable y0 equal ${yi}
variable y0 equal 6.54333410994044
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.4842599514982
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.47453133598796
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
150 -2.9871562 7.6199238 7.6199238
151 -2.9871562 7.6199238 7.6124742
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 7.61247421731637
variable naccept equal ${increment}
variable naccept equal 62
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.26689134915086
variable y0 equal ${yi}
variable y0 equal 3.89899247450959
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.2583212502739
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.85637448592317
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
151 -2.9871562 7.6124742 7.6124742
152 -2.9871562 7.6124742 6.7176999
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 6.71769991674919
variable naccept equal ${increment}
variable naccept equal 63
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1877771977445
variable y0 equal ${yi}
variable y0 equal 4.48406249636575
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.1148146752378
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.54698911065027
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
152 -2.9871562 6.7176999 6.7176999
153 -2.9871562 6.7176999 6.5885707
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 6.58857067003851
variable naccept equal ${increment}
variable naccept equal 64
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 9.10574056822807
variable y0 equal ${yi}
variable y0 equal 0.999771710145801
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 9.06512876469643
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 1.07313531230721
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
153 -2.9871562 6.5885707 6.5885707
154 -2.9871562 6.5885707 6.7092425
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 9.10574056822807
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.999771710145801
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.64847751736422
variable y0 equal ${yi}
variable y0 equal 6.37148375050059
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.69907911896487
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.46656938330165
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
154 -2.9871562 6.5885707 6.7092425
155 -2.9871562 6.5885707 6.569668
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 6.56966796496351
variable naccept equal ${increment}
variable naccept equal 65
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.95269535421668
variable y0 equal ${yi}
variable y0 equal 4.50253551358148
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.86371581196128
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.53917918557092
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
155 -2.9871562 6.569668 6.569668
156 -2.9871562 6.569668 6.5832275
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.95269535421668
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.50253551358148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.13949825524846
variable y0 equal ${yi}
variable y0 equal 3.73067882819307
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.10165440797368
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.82401231093538
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
156 -2.9871562 6.569668 6.5832275
157 -2.9871562 6.569668 6.4989235
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 6.49892351165672
variable naccept equal ${increment}
variable naccept equal 66
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 7.9432972490678
variable y0 equal ${yi}
variable y0 equal 2.61277595731118
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 7.96994642614223
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.56691586943963
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
157 -2.9871562 6.4989235 6.4989235
158 -2.9871562 6.4989235 6.5294712
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 7.9432972490678
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.61277595731118
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.05527156868621
variable y0 equal ${yi}
variable y0 equal 4.53311400765344
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.02884636202499
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.55055095309183
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
158 -2.9871562 6.4989235 6.5294712
159 -2.9871562 6.4989235 6.5027062
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.05527156868621
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.53311400765344
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.01163879076348
variable y0 equal ${yi}
variable y0 equal 0.112708401679993
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.00558659473763
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 0.0534018158912659
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
159 -2.9871562 6.4989235 6.5027062
160 -2.9871562 6.4989235 5.7934843
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 5.7934842511674
variable naccept equal ${increment}
variable naccept equal 67
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.37933925469132
variable y0 equal ${yi}
variable y0 equal 5.58286277001101
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.29014420588227
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.67163884585101
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
160 -2.9871562 5.7934843 5.7934843
161 -2.9871562 5.7934843 5.8148542
Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.37933925469132
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.58286277001101
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.20307075738469
variable y0 equal ${yi}
variable y0 equal 9.20901408899158
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.24925089835683
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 9.24181336868137
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
161 -2.9871562 5.7934843 5.8148542
162 -2.9871562 5.7934843 5.452196
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 5.45219604394413
variable naccept equal ${increment}
variable naccept equal 68
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.00558659473763
variable y0 equal ${yi}
variable y0 equal 0.0534018158912659
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 1.93844582477913
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y -0.0216168642044067
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
162 -2.9871562 5.452196 5.452196
163 -2.9871562 5.452196 5.1864344
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 5.18643436112833
variable naccept equal ${increment}
variable naccept equal 69
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.37933925469132
variable y0 equal ${yi}
variable y0 equal 5.58286277001101
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.36483755190583
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.56349997465807
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
163 -2.9871562 5.1864344 5.1864344
164 -2.9871562 5.1864344 5.1880759
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.37933925469132
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.58286277001101
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.76917257507277
variable y0 equal ${yi}
variable y0 equal 2.98904126855233
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.84191374977065
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 3.08111939402917
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
164 -2.9871562 5.1864344 5.1880759
165 -2.9871562 5.1864344 5.7067693
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.76917257507277
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.98904126855233
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.27988629102269
variable y0 equal ${yi}
variable y0 equal 1.9303872742421
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.31377582311192
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.92442210099762
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
165 -2.9871562 5.1864344 5.7067693
166 -2.9871562 5.1864344 5.2468263
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.27988629102269
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.9303872742421
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.2623671062729
variable y0 equal ${yi}
variable y0 equal 1.85691285512513
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.20794894774171
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.76940361640519
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
166 -2.9871562 5.1864344 5.2468263
167 -2.9871562 5.1864344 5.3657686
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.2623671062729
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.85691285512513
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.57122090061141
variable y0 equal ${yi}
variable y0 equal 4.51594142073557
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.64665825565291
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.58244173878595
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
167 -2.9871562 5.1864344 5.3657686
168 -2.9871562 5.1864344 5.1191323
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 5.11913227430673
variable naccept equal ${increment}
variable naccept equal 70
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.66856847643195
variable y0 equal ${yi}
variable y0 equal 8.24330494321879
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.65372233032523
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.34208905614909
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
168 -2.9871562 5.1191323 5.1191323
169 -2.9871562 5.1191323 5.1347954
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.66856847643195
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.24330494321879
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.74866355538149
variable y0 equal ${yi}
variable y0 equal 0.808928366411059
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.7506712782361
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.888538749921649
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
169 -2.9871562 5.1191323 5.1347954
170 -2.9871562 5.1191323 4.9851256
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 4.98512562316554
variable naccept equal ${increment}
variable naccept equal 71
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.43141517479192
variable y0 equal ${yi}
variable y0 equal 5.56478210632998
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.46527759868871
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.66414418165881
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
170 -2.9871562 4.9851256 4.9851256
171 -2.9871562 4.9851256 5.0353119
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 75 x ${x0}
set atom 75 x 7.43141517479192
1 settings made for x
set atom $i y ${y0}
set atom 75 y ${y0}
set atom 75 y 5.56478210632998
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 6.00016524751178
variable y0 equal ${yi}
variable y0 equal 2.67780595990518
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 6.01838682849399
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.77655899497369
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
171 -2.9871562 4.9851256 5.0353119
172 -2.9871562 4.9851256 4.1697129
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 4.16971292478467
variable naccept equal ${increment}
variable naccept equal 72
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.94675312637188
variable y0 equal ${yi}
variable y0 equal 0.975284381616443
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.87170137761929
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.90712811540398
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
172 -2.9871562 4.1697129 4.1697129
173 -2.9871562 4.1697129 4.1941642
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.94675312637188
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.975284381616443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1794071558973
variable y0 equal ${yi}
variable y0 equal 2.92664810391763
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.2262481812498
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.83032892915109
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
173 -2.9871562 4.1697129 4.1941642
174 -2.9871562 4.1697129 3.7792308
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 3.77923081220118
variable naccept equal ${increment}
variable naccept equal 73
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.09856477419243
variable y0 equal ${yi}
variable y0 equal 7.42882086363101
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.1927025858532
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.48242353525424
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
174 -2.9871562 3.7792308 3.7792308
175 -2.9871562 3.7792308 3.8188701
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.09856477419243
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.42882086363101
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.24925089835683
variable y0 equal ${yi}
variable y0 equal 9.24181336868137
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.24398106097737
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 9.15158544290393
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
175 -2.9871562 3.7792308 3.8188701
176 -2.9871562 3.7792308 4.5887558
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.24925089835683
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 9.24181336868137
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.86882879058009
variable y0 equal ${yi}
variable y0 equal 4.49039562100336
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.91969899455195
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.4667519962208
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
176 -2.9871562 3.7792308 4.5887558
177 -2.9871562 3.7792308 5.27178
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.86882879058009
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.49039562100336
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.527979464927579
variable y0 equal ${yi}
variable y0 equal 8.19242875494059
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.552063866058255
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.20312803901728
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
177 -2.9871562 3.7792308 5.27178
178 -2.9871562 3.7792308 3.7809116
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.527979464927579
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.19242875494059
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.64581083575373
variable y0 equal ${yi}
variable y0 equal 1.1294338900927
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.55103544512873
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.2142546017054
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
178 -2.9871562 3.7792308 3.7809116
179 -2.9871562 3.7792308 5.3788278
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.64581083575373
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.1294338900927
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.83310471732608
variable y0 equal ${yi}
variable y0 equal 8.3484317771345
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.87745822627536
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.36964200653132
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
179 -2.9871562 3.7792308 5.3788278
180 -2.9871562 3.7792308 3.7801645
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.83310471732608
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.3484317771345
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.41063080866109
variable y0 equal ${yi}
variable y0 equal 3.65039785666597
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.37125514585744
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.68198650641573
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
180 -2.9871562 3.7792308 3.7801645
181 -2.9871562 3.7792308 3.7977142
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.41063080866109
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.65039785666597
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.83310471732608
variable y0 equal ${yi}
variable y0 equal 8.3484317771345
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.93238850791446
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.38342529453334
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
181 -2.9871562 3.7792308 3.7977142
182 -2.9871562 3.7792308 3.7890571
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.83310471732608
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.3484317771345
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 0.887988367873957
variable y0 equal ${yi}
variable y0 equal 5.60655434076982
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 0.987933591205408
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.5415678853293
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
182 -2.9871562 3.7792308 3.7890571
183 -2.9871562 3.7792308 3.7757095
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 3.77570947809346
variable naccept equal ${increment}
variable naccept equal 74
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.2583212502739
variable y0 equal ${yi}
variable y0 equal 3.85637448592317
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.3481036551735
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.91077196164262
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
183 -2.9871562 3.7757095 3.7757095
184 -2.9871562 3.7757095 3.7932452
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.2583212502739
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.85637448592317
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.76917257507277
variable y0 equal ${yi}
variable y0 equal 2.98904126855233
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.69538001020384
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 3.07247213097909
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
184 -2.9871562 3.7757095 3.7932452
185 -2.9871562 3.7757095 4.175703
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.76917257507277
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.98904126855233
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 6.05597597320072
variable y0 equal ${yi}
variable y0 equal 6.6133103562974
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 6.10456911284916
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.61410201326838
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
185 -2.9871562 3.7757095 4.175703
186 -2.9871562 3.7757095 3.8176047
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 6.05597597320072
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.6133103562974
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.66856847643195
variable y0 equal ${yi}
variable y0 equal 8.24330494321879
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.67509861826239
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.25264309562739
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
186 -2.9871562 3.7757095 3.8176047
187 -2.9871562 3.7757095 3.768138
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 3.76813795996042
variable naccept equal ${increment}
variable naccept equal 75
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.69912415623446
variable y0 equal ${yi}
variable y0 equal 8.28526519455012
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.74543251871844
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.37158784784373
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
187 -2.9871562 3.768138 3.768138
188 -2.9871562 3.768138 3.7741958
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.69912415623446
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.28526519455012
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.71409282008296
variable y0 equal ${yi}
variable y0 equal 2.80584219666818
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.80891637126094
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.7453488108764
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
188 -2.9871562 3.768138 3.7741958
189 -2.9871562 3.768138 3.7603115
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 3.76031149772695
variable naccept equal ${increment}
variable naccept equal 76
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.10165440797368
variable y0 equal ${yi}
variable y0 equal 3.82401231093538
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.18344276904622
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.92122191949022
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
189 -2.9871562 3.7603115 3.7603115
190 -2.9871562 3.7603115 3.8375372
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.10165440797368
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.82401231093538
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.95269535421668
variable y0 equal ${yi}
variable y0 equal 4.50253551358148
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.94805367826758
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.47276767844125
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
190 -2.9871562 3.7603115 3.8375372
191 -2.9871562 3.7603115 3.7953799
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.95269535421668
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.50253551358148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.691218562522794
variable y0 equal ${yi}
variable y0 equal 6.6783623887681
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.612050385871793
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.61551776663294
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
191 -2.9871562 3.7603115 3.7953799
192 -2.9871562 3.7603115 3.7675347
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.691218562522794
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.6783623887681
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.85535389462158
variable y0 equal ${yi}
variable y0 equal 1.0833966691378
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.89841231384918
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 1.04761657308372
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
192 -2.9871562 3.7603115 3.7675347
193 -2.9871562 3.7603115 3.7559041
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 3.7559040988599
variable naccept equal ${increment}
variable naccept equal 77
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.86377175688087
variable y0 equal ${yi}
variable y0 equal 0.979123874414294
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.95399692892372
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.887990887868731
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
193 -2.9871562 3.7559041 3.7559041
194 -2.9871562 3.7559041 3.845622
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.86377175688087
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.979123874414294
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.54015185116407
variable y0 equal ${yi}
variable y0 equal 0.168617224693298
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.46731304405805
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.148456740379333
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
194 -2.9871562 3.7559041 3.845622
195 -2.9871562 3.7559041 3.7737988
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.54015185116407
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.168617224693298
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.57876513162081
variable y0 equal ${yi}
variable y0 equal 7.53226324644351
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.52982973018114
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.44936907615924
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
195 -2.9871562 3.7559041 3.7737988
196 -2.9871562 3.7559041 3.6169063
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 3.61690627832558
variable naccept equal ${increment}
variable naccept equal 78
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.86377175688087
variable y0 equal ${yi}
variable y0 equal 0.979123874414294
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.88065268635093
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.912736781347125
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
196 -2.9871562 3.6169063 3.6169063
197 -2.9871562 3.6169063 3.6314758
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.86377175688087
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.979123874414294
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 1.93844582477913
variable y0 equal ${yi}
variable y0 equal -0.0216168642044067
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 1.85615726152763
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 0.0231895804405213
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
197 -2.9871562 3.6169063 3.6314758
198 -2.9871562 3.6169063 3.7165732
Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 1.93844582477913
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y -0.0216168642044067
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.83154005010558
variable y0 equal ${yi}
variable y0 equal 1.03624491285118
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.82547415693236
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.980638142335738
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
198 -2.9871562 3.6169063 3.7165732
199 -2.9871562 3.6169063 3.5411592
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 3.54115915625719
variable naccept equal ${increment}
variable naccept equal 79
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.39634142318632
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0637464880943273
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
199 -2.9871562 3.5411592 3.5411592
200 -2.9871562 3.5411592 3.6544582
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.2262481812498
variable y0 equal ${yi}
variable y0 equal 2.83032892915109
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1570454005262
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.91342599364618
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
200 -2.9871562 3.5411592 3.6544582
201 -2.9871562 3.5411592 3.9741903
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.2262481812498
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.83032892915109
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.3339799050351
variable y0 equal ${yi}
variable y0 equal 0.744276662576526
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.3637065056821
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.730309530008167
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
201 -2.9871562 3.5411592 3.9741903
202 -2.9871562 3.5411592 3.707005
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.3339799050351
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.744276662576526
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.2583212502739
variable y0 equal ${yi}
variable y0 equal 3.85637448592317
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.25381002505036
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.80343433184755
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
202 -2.9871562 3.5411592 3.707005
203 -2.9871562 3.5411592 2.9052494
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 2.90524944701765
variable naccept equal ${increment}
variable naccept equal 80
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.37933925469132
variable y0 equal ${yi}
variable y0 equal 5.58286277001101
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.47800179798813
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.50670849030215
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
203 -2.9871562 2.9052494 2.9052494
204 -2.9871562 2.9052494 2.9188227
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.37933925469132
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.58286277001101
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.2401395205518
variable y0 equal ${yi}
variable y0 equal 8.23530813373622
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1610254410764
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.2609955064207
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
204 -2.9871562 2.9052494 2.9188227
205 -2.9871562 2.9052494 2.8749211
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 2.87492109204518
variable naccept equal ${increment}
variable naccept equal 81
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1610254410764
variable y0 equal ${yi}
variable y0 equal 8.2609955064207
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.0673277143499
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.30344848550853
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
205 -2.9871562 2.8749211 2.8749211
206 -2.9871562 2.8749211 2.8857639
Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.1610254410764
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.2609955064207
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.04383342583828
variable y0 equal ${yi}
variable y0 equal 7.5002349170711
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.14124523719006
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.51275172558093
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
206 -2.9871562 2.8749211 2.8857639
207 -2.9871562 2.8749211 2.7766242
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 2.77662424471656
variable naccept equal ${increment}
variable naccept equal 82
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.606322498718168
variable y0 equal ${yi}
variable y0 equal 0.941124983537524
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.528223629394438
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 1.0003870446566
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
207 -2.9871562 2.7766242 2.7766242
208 -2.9871562 2.7766242 2.770858
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 2.77085795989542
variable naccept equal ${increment}
variable naccept equal 83
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.67596542118666
variable y0 equal ${yi}
variable y0 equal 3.54897683425081
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.74365770100233
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.49169098897111
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
208 -2.9871562 2.770858 2.770858
209 -2.9871562 2.770858 3.050436
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.67596542118666
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.54897683425081
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.65866128086825
variable y0 equal ${yi}
variable y0 equal 2.87525559636453
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.73341091751834
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.95159634324411
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
209 -2.9871562 2.770858 3.050436
210 -2.9871562 2.770858 3.0698468
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.65866128086825
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.87525559636453
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.35001522063771
variable y0 equal ${yi}
variable y0 equal 5.45133864824968
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.28540751695195
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.54694495146471
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
210 -2.9871562 2.770858 3.0698468
211 -2.9871562 2.770858 2.7667548
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 2.76675484509176
variable naccept equal ${increment}
variable naccept equal 84
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.34927348612863
variable y0 equal ${yi}
variable y0 equal 3.632499070598
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.36620524643976
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.64652795357835
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
211 -2.9871562 2.7667548 2.7667548
212 -2.9871562 2.7667548 2.7140194
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 2.71401940348558
variable naccept equal ${increment}
variable naccept equal 85
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.0444017084425
variable y0 equal ${yi}
variable y0 equal 3.71522757573259
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 0.976319959956935
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.80048367543352
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
212 -2.9871562 2.7140194 2.7140194
213 -2.9871562 2.7140194 2.7264465
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.0444017084425
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.71522757573259
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4842599514982
variable y0 equal ${yi}
variable y0 equal 6.47453133598796
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.5635194186231
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.47242429987422
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
213 -2.9871562 2.7140194 2.7264465
214 -2.9871562 2.7140194 2.7812203
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.4842599514982
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.47453133598796
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.54873728592168
variable y0 equal ${yi}
variable y0 equal 7.27825465526843
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.49662653047811
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.37432011690402
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
214 -2.9871562 2.7140194 2.7812203
215 -2.9871562 2.7140194 2.484468
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 2.48446804105358
variable naccept equal ${increment}
variable naccept equal 86
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.71175088165876
variable y0 equal ${yi}
variable y0 equal 5.71374509279924
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.7438570785391
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.71434323733049
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
215 -2.9871562 2.484468 2.484468
216 -2.9871562 2.484468 2.5344589
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.71175088165876
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.71374509279924
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.48253180264112
variable y0 equal ${yi}
variable y0 equal 1.83061694285935
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.47551999567625
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.81556935689515
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
216 -2.9871562 2.484468 2.5344589
217 -2.9871562 2.484468 2.498409
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.48253180264112
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.83061694285935
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.01283839343883
variable y0 equal ${yi}
variable y0 equal 6.39706618324747
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.07944931386806
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.41556313768854
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
217 -2.9871562 2.484468 2.498409
218 -2.9871562 2.484468 2.4864171
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.01283839343883
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.39706618324747
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.15227542518474
variable y0 equal ${yi}
variable y0 equal 4.80270715111658
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.14373866914607
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.82686398381159
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
218 -2.9871562 2.484468 2.4864171
219 -2.9871562 2.484468 2.4989194
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.15227542518474
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.80270715111658
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.419449497847
variable y0 equal ${yi}
variable y0 equal 3.62166059775483
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.34232114711229
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.6295725540651
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
219 -2.9871562 2.484468 2.4989194
220 -2.9871562 2.484468 2.5210296
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.419449497847
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.62166059775483
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4842599514982
variable y0 equal ${yi}
variable y0 equal 6.47453133598796
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.4403341177961
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.37632404104701
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
220 -2.9871562 2.484468 2.5210296
221 -2.9871562 2.484468 2.5050849
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.4842599514982
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.47453133598796
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.69907911896487
variable y0 equal ${yi}
variable y0 equal 6.46656938330165
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.6406300532796
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.41525693670741
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
221 -2.9871562 2.484468 2.5050849
222 -2.9871562 2.484468 2.4902262
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.69907911896487
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46656938330165
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.67596542118666
variable y0 equal ${yi}
variable y0 equal 3.54897683425081
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.66069640396712
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.55637566609514
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
222 -2.9871562 2.484468 2.4902262
223 -2.9871562 2.484468 2.4655846
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 2.46558463942581
variable naccept equal ${increment}
variable naccept equal 87
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.2623671062729
variable y0 equal ${yi}
variable y0 equal 1.85691285512513
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.17639917214128
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.86436036012238
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
223 -2.9871562 2.4655846 2.4655846
224 -2.9871562 2.4655846 2.5872591
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.2623671062729
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.85691285512513
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.6815487464123
variable y0 equal ${yi}
variable y0 equal 3.78250859542024
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.7142239649945
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.83558911843431
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
224 -2.9871562 2.4655846 2.5872591
225 -2.9871562 2.4655846 2.5082268
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 10.6815487464123
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.78250859542024
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 10.6813830812626
variable y0 equal ${yi}
variable y0 equal 7.44148362007403
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 10.6724219401531
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.35836273756289
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
225 -2.9871562 2.4655846 2.5082268
226 -2.9871562 2.4655846 2.5064764
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 10.6813830812626
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.44148362007403
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.69907911896487
variable y0 equal ${yi}
variable y0 equal 6.46656938330165
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.76873043656131
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.43484980598918
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
226 -2.9871562 2.4655846 2.5064764
227 -2.9871562 2.4655846 2.5053485
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.69907911896487
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46656938330165
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.5705074151211
variable y0 equal ${yi}
variable y0 equal 5.44929230158525
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.5000557978802
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.47984230463701
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
227 -2.9871562 2.4655846 2.5053485
228 -2.9871562 2.4655846 2.6772775
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 10.5705074151211
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.44929230158525
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.15227542518474
variable y0 equal ${yi}
variable y0 equal 4.80270715111658
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.07615996002056
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.7173995649235
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
228 -2.9871562 2.4655846 2.6772775
229 -2.9871562 2.4655846 2.4400352
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 2.44003516207569
variable naccept equal ${increment}
variable naccept equal 88
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 10.6813830812626
variable y0 equal ${yi}
variable y0 equal 7.44148362007403
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 10.7781736691647
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.35604211416506
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
229 -2.9871562 2.4400352 2.4400352
230 -2.9871562 2.4400352 2.3465175
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 2.34651745930112
variable naccept equal ${increment}
variable naccept equal 89
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.45365178981688
variable y0 equal ${yi}
variable y0 equal 5.53061765377717
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.46989903846648
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.60639603083329
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
230 -2.9871562 2.3465175 2.3465175
231 -2.9871562 2.3465175 2.3508133
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.45365178981688
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.53061765377717
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.30328945000382
variable y0 equal ${yi}
variable y0 equal 9.24472218263477
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.2174924977562
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 9.23501479137271
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
231 -2.9871562 2.3465175 2.3508133
232 -2.9871562 2.3465175 2.3609849
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.30328945000382
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 9.24472218263477
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.71175088165876
variable y0 equal ${yi}
variable y0 equal 5.71374509279924
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.73368551014539
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.73669055645662
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
232 -2.9871562 2.3465175 2.3609849
233 -2.9871562 2.3465175 2.3599017
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.71175088165876
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.71374509279924
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 1.93844582477913
variable y0 equal ${yi}
variable y0 equal 9.28443172681659
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 1.93738202492104
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.35388676631778
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
233 -2.9871562 2.3465175 2.3599017
234 -2.9871562 2.3465175 2.4501665
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 1.93844582477913
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 9.28443172681659
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.22193996110822
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.39776486482882
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
234 -2.9871562 2.3465175 2.4501665
235 -2.9871562 2.3465175 2.5319956
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.51145575204317
variable y0 equal ${yi}
variable y0 equal 1.77417989156312
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.47960474648897
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.80078221938676
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
235 -2.9871562 2.3465175 2.5319956
236 -2.9871562 2.3465175 2.3355328
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 2.33553281501307
variable naccept equal ${increment}
variable naccept equal 90
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.05291998106987
variable y0 equal ${yi}
variable y0 equal 6.54749028221598
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 8.99259245116264
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.63762179152003
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
236 -2.9871562 2.3355328 2.3355328
237 -2.9871562 2.3355328 2.371876
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.05291998106987
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.54749028221598
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.419449497847
variable y0 equal ${yi}
variable y0 equal 3.62166059775483
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.40840894141618
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.68270436091554
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
237 -2.9871562 2.3355328 2.371876
238 -2.9871562 2.3355328 2.3397584
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.419449497847
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.62166059775483
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.44531484046842
variable y0 equal ${yi}
variable y0 equal 2.01137088916367
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.38733753362562
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.98514271161622
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
238 -2.9871562 2.3355328 2.3397584
239 -2.9871562 2.3355328 2.2989349
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 2.29893492861156
variable naccept equal ${increment}
variable naccept equal 91
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 1.93844582477913
variable y0 equal ${yi}
variable y0 equal 9.28443172681659
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 1.99810193220482
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.37699267375797
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
239 -2.9871562 2.2989349 2.2989349
240 -2.9871562 2.2989349 2.4168172
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 1.93844582477913
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 9.28443172681659
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.50041027783471
variable y0 equal ${yi}
variable y0 equal 5.47833287661272
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.50871119021493
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.46063058321672
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
240 -2.9871562 2.2989349 2.4168172
241 -2.9871562 2.2989349 2.3079187
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.50041027783471
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.47833287661272
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.80891637126094
variable y0 equal ${yi}
variable y0 equal 2.7453488108764
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.76476874867564
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.70177202197412
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
241 -2.9871562 2.2989349 2.3079187
242 -2.9871562 2.2989349 2.3514607
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.80891637126094
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.7453488108764
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89841231384918
variable y0 equal ${yi}
variable y0 equal 1.04761657308372
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.9833695558612
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.954696889627299
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
242 -2.9871562 2.2989349 2.3514607
243 -2.9871562 2.2989349 2.3267175
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.89841231384918
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 1.04761657308372
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 6.08646931607715
variable y0 equal ${yi}
variable y0 equal 4.56544599884912
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 6.02711180407993
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.46827596777841
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
243 -2.9871562 2.2989349 2.3267175
244 -2.9871562 2.2989349 2.4110565
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 6.08646931607715
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.56544599884912
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89841231384918
variable y0 equal ${yi}
variable y0 equal 1.04761657308372
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.96632986345932
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 1.0597247440699
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
244 -2.9871562 2.2989349 2.4110565
245 -2.9871562 2.2989349 2.3180912
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.89841231384918
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 1.04761657308372
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.27988629102269
variable y0 equal ${yi}
variable y0 equal 1.9303872742421
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.21498584508458
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.99597549817627
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
245 -2.9871562 2.2989349 2.3180912
246 -2.9871562 2.2989349 2.2049808
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 2.20498076363821
variable naccept equal ${increment}
variable naccept equal 92
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.35654126484605
variable y0 equal ${yi}
variable y0 equal 7.29389964666628
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.39849084694596
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.27104223099016
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
246 -2.9871562 2.2049808 2.2049808
247 -2.9871562 2.2049808 2.2090796
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.35654126484605
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.29389964666628
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.74200649777537
variable y0 equal ${yi}
variable y0 equal 8.32967373050746
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.68310944357997
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.35611592449245
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
247 -2.9871562 2.2049808 2.2090796
248 -2.9871562 2.2049808 2.3804213
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.74200649777537
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.32967373050746
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.55511315026705
variable y0 equal ${yi}
variable y0 equal 9.1494782041344
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.60153190055315
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.0841515253815
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
248 -2.9871562 2.2049808 2.3804213
249 -2.9871562 2.2049808 2.2911791
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.55511315026705
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.1494782041344
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.71809613902999
variable y0 equal ${yi}
variable y0 equal 6.45324923531046
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.68463653524352
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.46641634241572
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
249 -2.9871562 2.2049808 2.2911791
250 -2.9871562 2.2049808 2.2122944
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.71809613902999
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.45324923531046
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.69912415623446
variable y0 equal ${yi}
variable y0 equal 8.28526519455012
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.371298693791
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
250 -2.9871562 2.2049808 2.2122944
251 -2.9871562 2.2049808 2.1763007
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 2.17630066012853
variable naccept equal ${increment}
variable naccept equal 93
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.14111500421868
variable y0 equal ${yi}
variable y0 equal 1.98998316905564
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.08580045143471
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.98135419271058
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
251 -2.9871562 2.1763007 2.1763007
252 -2.9871562 2.1763007 2.2014574
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.14111500421868
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.98998316905564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.54015185116407
variable y0 equal ${yi}
variable y0 equal 0.168617224693298
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.50547549008009
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.19406349658966
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
252 -2.9871562 2.1763007 2.2014574
253 -2.9871562 2.1763007 2.2167131
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.54015185116407
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.168617224693298
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.84334465781337
variable y0 equal ${yi}
variable y0 equal 6.64102999702921
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.92664621392375
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.63731389776697
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
253 -2.9871562 2.1763007 2.2167131
254 -2.9871562 2.1763007 2.4903702
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.84334465781337
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.64102999702921
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89841231384918
variable y0 equal ${yi}
variable y0 equal 1.04761657308372
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.97736276665375
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.95279589484962
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
254 -2.9871562 2.1763007 2.4903702
255 -2.9871562 2.1763007 2.2008871
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.89841231384918
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 1.04761657308372
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.45365178981688
variable y0 equal ${yi}
variable y0 equal 5.53061765377717
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.43885856071379
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.558475553443
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
255 -2.9871562 2.1763007 2.2008871
256 -2.9871562 2.1763007 2.1772142
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2380.7% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 2.17721416636765
variable naccept equal ${increment}
variable naccept equal 94
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.528223629394438
variable y0 equal ${yi}
variable y0 equal 1.0003870446566
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.499662192264464
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 1.03355894874367
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
256 -2.9871562 2.1772142 2.1772142
257 -2.9871562 2.1772142 2.1873307
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.528223629394438
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 1.0003870446566
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 7.0394436744754
variable y0 equal ${yi}
variable y0 equal 2.83307024213174
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 7.00151706019088
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.84099396439889
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
257 -2.9871562 2.1772142 2.1873307
258 -2.9871562 2.1772142 2.1365474
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 2.13654740169727
variable naccept equal ${increment}
variable naccept equal 95
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 6.01838682849399
variable y0 equal ${yi}
variable y0 equal 2.77655899497369
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.98321292359821
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.82037467929223
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
258 -2.9871562 2.1365474 2.1365474
259 -2.9871562 2.1365474 1.98574
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 1.98573995229882
variable naccept equal ${increment}
variable naccept equal 96
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.24925089835683
variable y0 equal ${yi}
variable y0 equal 9.24181336868137
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.25217199086705
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 9.18758630264133
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
259 -2.9871562 1.98574 1.98574
260 -2.9871562 1.98574 2.3063928
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.24925089835683
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 9.24181336868137
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.8571848150014
variable y0 equal ${yi}
variable y0 equal 0.822012730348437
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.82616556842318
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.806922693956225
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
260 -2.9871562 1.98574 2.3063928
261 -2.9871562 1.98574 2.005296
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.8571848150014
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.822012730348437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.24925089835683
variable y0 equal ${yi}
variable y0 equal 9.24181336868137
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.2526656842188
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 9.21431394327015
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
261 -2.9871562 1.98574 2.005296
262 -2.9871562 1.98574 2.1117188
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.24925089835683
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 9.24181336868137
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.83310471732608
variable y0 equal ${yi}
variable y0 equal 8.3484317771345
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.75761678178302
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.31474177755412
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
262 -2.9871562 1.98574 2.1117188
263 -2.9871562 1.98574 2.0053049
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.83310471732608
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.3484317771345
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.691218562522794
variable y0 equal ${yi}
variable y0 equal 6.6783623887681
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.670342476764585
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.59568084017267
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
263 -2.9871562 1.98574 2.0053049
264 -2.9871562 1.98574 1.9557278
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 1.95572776920715
variable naccept equal ${increment}
variable naccept equal 97
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.21031779963524
variable y0 equal ${yi}
variable y0 equal 4.89201650971338
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.20485454518349
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.87068404311105
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
264 -2.9871562 1.9557278 1.9557278
265 -2.9871562 1.9557278 1.9474326
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 1.94743264633104
variable naccept equal ${increment}
variable naccept equal 98
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.54015185116407
variable y0 equal ${yi}
variable y0 equal 0.168617224693298
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.61007420300123
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.260290694236755
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
265 -2.9871562 1.9474326 1.9474326
266 -2.9871562 1.9474326 2.1043325
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.54015185116407
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.168617224693298
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.74200649777537
variable y0 equal ${yi}
variable y0 equal 8.32967373050746
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.80224820891505
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.3640069595724
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
266 -2.9871562 1.9474326 2.1043325
267 -2.9871562 1.9474326 1.956461
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.74200649777537
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.32967373050746
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.82547415693236
variable y0 equal ${yi}
variable y0 equal 0.980638142335738
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.8267559309764
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.971250160444106
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
267 -2.9871562 1.9474326 1.956461
268 -2.9871562 1.9474326 1.945302
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 1.94530198930784
variable naccept equal ${increment}
variable naccept equal 99
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.05527156868621
variable y0 equal ${yi}
variable y0 equal 4.53311400765344
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.02073226252242
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.46909262293741
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
268 -2.9871562 1.945302 1.945302
269 -2.9871562 1.945302 1.9995352
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.05527156868621
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.53311400765344
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 5.01025660871802
variable y0 equal ${yi}
variable y0 equal 6.54333757893076
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 5.03032942652045
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.60091528431406
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
269 -2.9871562 1.945302 1.9995352
270 -2.9871562 1.945302 1.9986875
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 5.01025660871802
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.54333757893076
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 9.10574056822807
variable y0 equal ${yi}
variable y0 equal 0.999771710145801
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 9.1836409540847
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.944023545492023
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
270 -2.9871562 1.945302 1.9986875
271 -2.9871562 1.945302 2.0532795
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 9.10574056822807
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.999771710145801
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.92452969192802
variable y0 equal ${yi}
variable y0 equal 2.87330106469491
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.91350137829124
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.84221006604531
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
271 -2.9871562 1.945302 2.0532795
272 -2.9871562 1.945302 1.9484384
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.92452969192802
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.87330106469491
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.8703564425273
variable y0 equal ${yi}
variable y0 equal 8.50065911926326
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.8117458124919
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.46798524774608
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
272 -2.9871562 1.945302 1.9484384
273 -2.9871562 1.945302 1.7317291
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 1.7317290742616
variable naccept equal ${increment}
variable naccept equal 100
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.0444017084425
variable y0 equal ${yi}
variable y0 equal 3.71522757573259
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.00807849486523
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.67135943932665
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
273 -2.9871562 1.7317291 1.7317291
274 -2.9871562 1.7317291 1.727328
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 1.72732802807642
variable naccept equal ${increment}
variable naccept equal 101
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.35008210975897
variable y0 equal ${yi}
variable y0 equal 1.97732270143098
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.30310733158362
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.91416514298982
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
274 -2.9871562 1.727328 1.727328
275 -2.9871562 1.727328 1.6596755
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 1.65967554118081
variable naccept equal ${increment}
variable naccept equal 102
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 9.10574056822807
variable y0 equal ${yi}
variable y0 equal 0.999771710145801
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 9.01416312176735
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 1.02543041299614
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
275 -2.9871562 1.6596755 1.6596755
276 -2.9871562 1.6596755 1.6431268
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 1.64312681561497
variable naccept equal ${increment}
variable naccept equal 103
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.67509861826239
variable y0 equal ${yi}
variable y0 equal 8.25264309562739
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.75239680647192
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.22711012281474
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
276 -2.9871562 1.6431268 1.6431268
277 -2.9871562 1.6431268 1.6410917
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 1.64109174625658
variable naccept equal ${increment}
variable naccept equal 104
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 7.0883078245227
variable y0 equal ${yi}
variable y0 equal 8.34910107769069
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.14858557263061
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.4324205151945
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
277 -2.9871562 1.6410917 1.6410917
278 -2.9871562 1.6410917 1.6574711
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 7.0883078245227
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.34910107769069
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.86882879058009
variable y0 equal ${yi}
variable y0 equal 4.49039562100336
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.8558085254777
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.56099074238703
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
278 -2.9871562 1.6410917 1.6574711
279 -2.9871562 1.6410917 1.2558275
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 1.25582751445049
variable naccept equal ${increment}
variable naccept equal 105
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.48253180264112
variable y0 equal ${yi}
variable y0 equal 1.83061694285935
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.54107436417219
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.92576876065796
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
279 -2.9871562 1.2558275 1.2558275
280 -2.9871562 1.2558275 1.3506862
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.48253180264112
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.83061694285935
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.6815487464123
variable y0 equal ${yi}
variable y0 equal 3.78250859542024
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.736381598299
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.75094525380266
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
280 -2.9871562 1.2558275 1.3506862
281 -2.9871562 1.2558275 1.2353383
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 1.23533830508635
variable naccept equal ${increment}
variable naccept equal 106
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.50041027783471
variable y0 equal ${yi}
variable y0 equal 5.47833287661272
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.42834627150613
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.4691439980765
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
281 -2.9871562 1.2353383 1.2353383
282 -2.9871562 1.2353383 1.2264629
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 1.2264628888717
variable naccept equal ${increment}
variable naccept equal 107
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.01283839343883
variable y0 equal ${yi}
variable y0 equal 6.39706618324747
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.0722867071519
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.45118850008478
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
282 -2.9871562 1.2264629 1.2264629
283 -2.9871562 1.2264629 1.135435
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 1.13543504322196
variable naccept equal ${increment}
variable naccept equal 108
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.527979464927579
variable y0 equal ${yi}
variable y0 equal 8.19242875494059
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.508253164688016
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.16900298513468
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
283 -2.9871562 1.135435 1.135435
284 -2.9871562 1.135435 1.1565057
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.527979464927579
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.19242875494059
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.419449497847
variable y0 equal ${yi}
variable y0 equal 3.62166059775483
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.40158554473344
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.56424064202439
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
284 -2.9871562 1.135435 1.1565057
285 -2.9871562 1.135435 1.1416229
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.419449497847
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.62166059775483
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.12992211023675
variable y0 equal ${yi}
variable y0 equal 5.55094037001329
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.17916303316461
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.59357631151872
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
285 -2.9871562 1.135435 1.1416229
286 -2.9871562 1.135435 1.146847
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.12992211023675
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.55094037001329
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.07615996002056
variable y0 equal ${yi}
variable y0 equal 4.7173995649235
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.13544091581203
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.78325196856425
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
286 -2.9871562 1.135435 1.146847
287 -2.9871562 1.135435 1.1495881
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.07615996002056
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.7173995649235
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.419449497847
variable y0 equal ${yi}
variable y0 equal 3.62166059775483
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.34415881791536
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.69185721440446
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
287 -2.9871562 1.135435 1.1495881
288 -2.9871562 1.135435 1.172518
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.419449497847
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.62166059775483
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.14111500421868
variable y0 equal ${yi}
variable y0 equal 1.98998316905564
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.15834543148385
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.95142827413148
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
288 -2.9871562 1.135435 1.172518
289 -2.9871562 1.135435 1.1281081
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 1.12810808282229
variable naccept equal ${increment}
variable naccept equal 109
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.719713945785428
variable y0 equal ${yi}
variable y0 equal 2.71912268372872
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.662689776817227
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.67404042455056
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
289 -2.9871562 1.1281081 1.1281081
290 -2.9871562 1.1281081 1.1211865
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 1.1211864606703
variable naccept equal ${increment}
variable naccept equal 110
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.26134668309242
variable y0 equal ${yi}
variable y0 equal 2.72465627166131
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.29207877833397
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.80869561406472
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
290 -2.9871562 1.1211865 1.1211865
291 -2.9871562 1.1211865 1.2986889
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.26134668309242
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.72465627166131
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.8267559309764
variable y0 equal ${yi}
variable y0 equal 0.971250160444106
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.75902790029479
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.898522039163436
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
291 -2.9871562 1.1211865 1.2986889
292 -2.9871562 1.1211865 0.94135303
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.941353026039151
variable naccept equal ${increment}
variable naccept equal 111
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.61105832934161
variable y0 equal ${yi}
variable y0 equal 4.50049876326486
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.5575939166524
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.49943247193261
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
292 -2.9871562 0.94135303 0.94135303
293 -2.9871562 0.94135303 0.93764633
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.937646334407269
variable naccept equal ${increment}
variable naccept equal 112
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 9.01416312176735
variable y0 equal ${yi}
variable y0 equal 1.02543041299614
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.91501542050392
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 1.03042320798668
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
293 -2.9871562 0.93764633 0.93764633
294 -2.9871562 0.93764633 0.98774818
Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 9.01416312176735
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 1.02543041299614
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 5.01025660871802
variable y0 equal ${yi}
variable y0 equal 6.54333757893076
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 5.00207789778052
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.54641065136423
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
294 -2.9871562 0.93764633 0.98774818
295 -2.9871562 0.93764633 0.93896905
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 5.01025660871802
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.54333757893076
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.31983832835275
variable y0 equal ${yi}
variable y0 equal 9.28122769105762
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.25224061726648
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 9.27107895124286
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
295 -2.9871562 0.93764633 0.93896905
296 -2.9871562 0.93764633 0.98394718
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.31983832835275
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 9.28122769105762
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.39294121979791
variable y0 equal ${yi}
variable y0 equal 7.42644421186709
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.37878628491479
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.3485107811954
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
296 -2.9871562 0.93764633 0.98394718
297 -2.9871562 0.93764633 1.2470222
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.39294121979791
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.42644421186709
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.80891637126094
variable y0 equal ${yi}
variable y0 equal 2.7453488108764
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.71343504706508
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.83674176904062
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
297 -2.9871562 0.93764633 1.2470222
298 -2.9871562 0.93764633 0.94091343
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.80891637126094
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.7453488108764
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.2623671062729
variable y0 equal ${yi}
variable y0 equal 1.85691285512513
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.20108259995195
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.79835951707429
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
298 -2.9871562 0.93764633 0.94091343
299 -2.9871562 0.93764633 1.0469015
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.2623671062729
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.85691285512513
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4842599514982
variable y0 equal ${yi}
variable y0 equal 6.47453133598796
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.4386542324087
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.52439804808131
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
299 -2.9871562 0.93764633 1.0469015
300 -2.9871562 0.93764633 0.94659579
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.4842599514982
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.47453133598796
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.34592144885923
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.049927163124082
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
300 -2.9871562 0.93764633 0.94659579
301 -2.9871562 0.93764633 0.97598964
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.5705074151211
variable y0 equal ${yi}
variable y0 equal 5.44929230158525
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.5304636200123
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.51830297653871
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
301 -2.9871562 0.93764633 0.97598964
302 -2.9871562 0.93764633 1.0699763
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 10.5705074151211
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.44929230158525
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.5575939166524
variable y0 equal ${yi}
variable y0 equal 4.49943247193261
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.65137007117053
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.58490908497735
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
302 -2.9871562 0.93764633 1.0699763
303 -2.9871562 0.93764633 0.93545845
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.935458446203319
variable naccept equal ${increment}
variable naccept equal 113
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.98321292359821
variable y0 equal ${yi}
variable y0 equal 2.82037467929223
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.85332814427712
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
303 -2.9871562 0.93545845 0.93545845
304 -2.9871562 0.93545845 0.87859081
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.878590811659339
variable naccept equal ${increment}
variable naccept equal 114
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.16465403436519
variable y0 equal ${yi}
variable y0 equal 8.25818215526637
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.11236243842937
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.24853718198832
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
304 -2.9871562 0.87859081 0.87859081
305 -2.9871562 0.87859081 0.84186673
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.841866727873061
variable naccept equal ${increment}
variable naccept equal 115
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.65866128086825
variable y0 equal ${yi}
variable y0 equal 2.87525559636453
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.58777606367846
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.84301091405252
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
305 -2.9871562 0.84186673 0.84186673
306 -2.9871562 0.84186673 0.82826124
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.828261243053289
variable naccept equal ${increment}
variable naccept equal 116
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 5.01025660871802
variable y0 equal ${yi}
variable y0 equal 6.54333757893076
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.91611744999228
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.62693737284174
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
306 -2.9871562 0.82826124 0.82826124
307 -2.9871562 0.82826124 0.96978441
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 5.01025660871802
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.54333757893076
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.35654126484605
variable y0 equal ${yi}
variable y0 equal 7.29389964666628
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.42171926577302
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.38157400217318
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
307 -2.9871562 0.82826124 0.96978441
308 -2.9871562 0.82826124 0.73615492
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.736154916943769
variable naccept equal ${increment}
variable naccept equal 117
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.50696252742235
variable y0 equal ${yi}
variable y0 equal 5.69319788162904
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.43130980887834
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.75697098915773
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
308 -2.9871562 0.73615492 0.73615492
309 -2.9871562 0.73615492 1.2254754
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.50696252742235
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.69319788162904
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.8571848150014
variable y0 equal ${yi}
variable y0 equal 0.822012730348437
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.89277292449466
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.861734314668505
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
309 -2.9871562 0.73615492 1.2254754
310 -2.9871562 0.73615492 0.71526213
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.715262129537996
variable naccept equal ${increment}
variable naccept equal 118
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 9.01416312176735
variable y0 equal ${yi}
variable y0 equal 1.02543041299614
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 9.0259944530204
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 1.09268743585381
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
310 -2.9871562 0.71526213 0.71526213
311 -2.9871562 0.71526213 0.85184339
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 9.01416312176735
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 1.02543041299614
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.26134668309242
variable y0 equal ${yi}
variable y0 equal 2.72465627166131
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.17907547671348
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.72399175139764
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
311 -2.9871562 0.71526213 0.85184339
312 -2.9871562 0.71526213 0.64923108
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.649231076183207
variable naccept equal ${increment}
variable naccept equal 119
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.09856477419243
variable y0 equal ${yi}
variable y0 equal 7.42882086363101
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.171928853191
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.39512615528369
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
312 -2.9871562 0.64923108 0.64923108
313 -2.9871562 0.64923108 0.64870609
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.648706088917602
variable naccept equal ${increment}
variable naccept equal 120
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.11265363454381
variable y0 equal ${yi}
variable y0 equal 7.54972790804171
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.19670169114628
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.45894124832415
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
313 -2.9871562 0.64870609 0.64870609
314 -2.9871562 0.64870609 0.60161949
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.601619488272378
variable naccept equal ${increment}
variable naccept equal 121
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.15834543148385
variable y0 equal ${yi}
variable y0 equal 1.95142827413148
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.15292535463677
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.93014320514268
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
314 -2.9871562 0.60161949 0.60161949
315 -2.9871562 0.60161949 0.60218553
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.15834543148385
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.95142827413148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.25737026134396
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.50756908979678
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
315 -2.9871562 0.60161949 0.60218553
316 -2.9871562 0.60161949 0.76497248
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.736381598299
variable y0 equal ${yi}
variable y0 equal 3.75094525380266
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.8089002330951
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.70395618243349
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
316 -2.9871562 0.60161949 0.76497248
317 -2.9871562 0.60161949 0.6150634
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 10.736381598299
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.75094525380266
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.80891637126094
variable y0 equal ${yi}
variable y0 equal 2.7453488108764
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.74724085847026
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.75662622424463
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
317 -2.9871562 0.60161949 0.6150634
318 -2.9871562 0.60161949 0.6212426
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.80891637126094
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.7453488108764
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.69907911896487
variable y0 equal ${yi}
variable y0 equal 6.46656938330165
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.63290837883731
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.37482504383556
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
318 -2.9871562 0.60161949 0.6212426
319 -2.9871562 0.60161949 0.62114355
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.69907911896487
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46656938330165
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.07615996002056
variable y0 equal ${yi}
variable y0 equal 4.7173995649235
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.15357411502697
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.76654394024775
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
319 -2.9871562 0.60161949 0.62114355
320 -2.9871562 0.60161949 0.61212154
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.07615996002056
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.7173995649235
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.10165440797368
variable y0 equal ${yi}
variable y0 equal 3.82401231093538
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.17658477782765
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.80986476702821
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
320 -2.9871562 0.60161949 0.61212154
321 -2.9871562 0.60161949 0.50980081
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.509800810220961
variable naccept equal ${increment}
variable naccept equal 122
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.38733753362562
variable y0 equal ${yi}
variable y0 equal 1.98514271161622
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.44608472982313
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 2.07643402001924
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
321 -2.9871562 0.50980081 0.50980081
322 -2.9871562 0.50980081 0.61820721
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.38733753362562
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.98514271161622
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.0722867071519
variable y0 equal ${yi}
variable y0 equal 6.45118850008478
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.04694936870433
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.52130033508768
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
322 -2.9871562 0.50980081 0.61820721
323 -2.9871562 0.50980081 0.45510145
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.455101454385928
variable naccept equal ${increment}
variable naccept equal 123
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 7.00151706019088
variable y0 equal ${yi}
variable y0 equal 2.84099396439889
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.97641189375564
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.79607654782632
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
323 -2.9871562 0.45510145 0.45510145
324 -2.9871562 0.45510145 0.44648374
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.446483741326988
variable naccept equal ${increment}
variable naccept equal 124
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.86377175688087
variable y0 equal ${yi}
variable y0 equal 0.979123874414294
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.90331059336006
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.983509906041949
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
324 -2.9871562 0.44648374 0.44648374
325 -2.9871562 0.44648374 0.45449936
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.86377175688087
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.979123874414294
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.64581083575373
variable y0 equal ${yi}
variable y0 equal 1.1294338900927
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.73614475051051
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.21287616084847
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
325 -2.9871562 0.44648374 0.45449936
326 -2.9871562 0.44648374 0.63764505
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.64581083575373
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.1294338900927
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.30310733158362
variable y0 equal ${yi}
variable y0 equal 1.91416514298982
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.39499159891379
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.92000625512666
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
326 -2.9871562 0.44648374 0.63764505
327 -2.9871562 0.44648374 0.42797018
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.427970183917575
variable naccept equal ${increment}
variable naccept equal 125
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.54485606351758
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.65695375962388
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
327 -2.9871562 0.42797018 0.42797018
328 -2.9871562 0.42797018 0.6610825
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.7506712782361
variable y0 equal ${yi}
variable y0 equal 0.888538749921649
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.71824898600359
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.933647318590014
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
328 -2.9871562 0.42797018 0.6610825
329 -2.9871562 0.42797018 0.39916015
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.399160152989202
variable naccept equal ${increment}
variable naccept equal 126
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.528223629394438
variable y0 equal ${yi}
variable y0 equal 1.0003870446566
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.560817809501555
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 1.03491665910515
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
329 -2.9871562 0.39916015 0.39916015
330 -2.9871562 0.39916015 0.40185583
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.528223629394438
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 1.0003870446566
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.14124523719006
variable y0 equal ${yi}
variable y0 equal 7.51275172558093
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.11549679358654
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.55766046371722
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
330 -2.9871562 0.39916015 0.40185583
331 -2.9871562 0.39916015 0.48906063
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.14124523719006
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.51275172558093
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.17658477782765
variable y0 equal ${yi}
variable y0 equal 3.80986476702821
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.23023854255238
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.88807414336335
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
331 -2.9871562 0.39916015 0.48906063
332 -2.9871562 0.39916015 0.42897972
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.17658477782765
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.80986476702821
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.57106729626437
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.45412160076198
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
332 -2.9871562 0.39916015 0.42897972
333 -2.9871562 0.39916015 0.43569545
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.86377175688087
variable y0 equal ${yi}
variable y0 equal 0.979123874414294
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.88687561392128
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.889389975774615
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
333 -2.9871562 0.39916015 0.43569545
334 -2.9871562 0.39916015 0.4185833
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.86377175688087
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.979123874414294
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.17658477782765
variable y0 equal ${yi}
variable y0 equal 3.80986476702821
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.0896934604601
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.79988858266008
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
334 -2.9871562 0.39916015 0.4185833
335 -2.9871562 0.39916015 0.51973768
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.17658477782765
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.80986476702821
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.80891637126094
variable y0 equal ${yi}
variable y0 equal 2.7453488108764
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.79604673901683
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.83362374278405
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
335 -2.9871562 0.39916015 0.51973768
336 -2.9871562 0.39916015 0.37079441
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.370794410570449
variable naccept equal ${increment}
variable naccept equal 127
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.43141517479192
variable y0 equal ${yi}
variable y0 equal 5.56478210632998
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.49551006395589
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.58417154495913
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
336 -2.9871562 0.37079441 0.37079441
337 -2.9871562 0.37079441 0.37134494
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 75 x ${x0}
set atom 75 x 7.43141517479192
1 settings made for x
set atom $i y ${y0}
set atom 75 y ${y0}
set atom 75 y 5.56478210632998
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.2325967947569
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.081431126594541
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
337 -2.9871562 0.37079441 0.37134494
338 -2.9871562 0.37079441 0.41287264
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.76917257507277
variable y0 equal ${yi}
variable y0 equal 2.98904126855233
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.73812366922331
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.96562054129937
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
338 -2.9871562 0.37079441 0.41287264
339 -2.9871562 0.37079441 0.34387548
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.343875481982439
variable naccept equal ${increment}
variable naccept equal 128
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.50696252742235
variable y0 equal ${yi}
variable y0 equal 5.69319788162904
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.48728070416872
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.76202048008638
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
339 -2.9871562 0.34387548 0.34387548
340 -2.9871562 0.34387548 0.43818864
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.50696252742235
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.69319788162904
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.34449196258451
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0756220102310156
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
340 -2.9871562 0.34387548 0.43818864
341 -2.9871562 0.34387548 0.37326119
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.54015185116407
variable y0 equal ${yi}
variable y0 equal 0.168617224693298
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.4949854779112
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.0935324668884274
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
341 -2.9871562 0.34387548 0.37326119
342 -2.9871562 0.34387548 0.33837315
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.338373152197701
variable naccept equal ${increment}
variable naccept equal 129
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.171928853191
variable y0 equal ${yi}
variable y0 equal 7.39512615528369
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.08580487409936
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.40365429249072
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
342 -2.9871562 0.33837315 0.33837315
343 -2.9871562 0.33837315 0.36432519
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.171928853191
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.39512615528369
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.528223629394438
variable y0 equal ${yi}
variable y0 equal 1.0003870446566
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.490792246261503
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.959949858892287
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
343 -2.9871562 0.33837315 0.36432519
344 -2.9871562 0.33837315 0.36695216
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.528223629394438
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 1.0003870446566
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 6.05597597320072
variable y0 equal ${yi}
variable y0 equal 6.6133103562974
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.98053418357364
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.63511340157023
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
344 -2.9871562 0.33837315 0.36695216
345 -2.9871562 0.33837315 0.33376525
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.333765247542422
variable naccept equal ${increment}
variable naccept equal 130
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89841231384918
variable y0 equal ${yi}
variable y0 equal 1.04761657308372
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.84895133057281
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 1.0897190053347
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
345 -2.9871562 0.33376525 0.33376525
346 -2.9871562 0.33376525 0.34594189
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.89841231384918
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 1.04761657308372
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.38733753362562
variable y0 equal ${yi}
variable y0 equal 1.98514271161622
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.31064851680662
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.91864991567201
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
346 -2.9871562 0.33376525 0.34594189
347 -2.9871562 0.33376525 0.32036207
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.320362070367371
variable naccept equal ${increment}
variable naccept equal 131
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.53454333940411
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.81364343924653
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
347 -2.9871562 0.32036207 0.32036207
348 -2.9871562 0.32036207 0.43311829
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.75902790029479
variable y0 equal ${yi}
variable y0 equal 0.898522039163436
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.70367804964019
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.934533329713668
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
348 -2.9871562 0.32036207 0.43311829
349 -2.9871562 0.32036207 0.2957903
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.29579030149007
variable naccept equal ${increment}
variable naccept equal 132
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.171928853191
variable y0 equal ${yi}
variable y0 equal 7.39512615528369
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.45649659958148
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
349 -2.9871562 0.2957903 0.2957903
350 -2.9871562 0.2957903 0.29508124
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.29508123707366
variable naccept equal ${increment}
variable naccept equal 133
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.89277292449466
variable y0 equal ${yi}
variable y0 equal 0.861734314668505
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.90064037997714
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.845063658464281
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
350 -2.9871562 0.29508124 0.29508124
351 -2.9871562 0.29508124 0.30372211
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.89277292449466
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.861734314668505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.527979464927579
variable y0 equal ${yi}
variable y0 equal 8.19242875494059
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.525017555156613
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.15879053987559
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
351 -2.9871562 0.29508124 0.30372211
352 -2.9871562 0.29508124 0.34172105
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.527979464927579
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.19242875494059
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.71809613902999
variable y0 equal ${yi}
variable y0 equal 6.45324923531046
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.71696967084838
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.39043933884134
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
352 -2.9871562 0.29508124 0.34172105
353 -2.9871562 0.29508124 0.30625059
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.71809613902999
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.45324923531046
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.50696252742235
variable y0 equal ${yi}
variable y0 equal 5.69319788162904
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.46997485318605
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.70727876370149
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
353 -2.9871562 0.29508124 0.30625059
354 -2.9871562 0.29508124 0.31972163
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.50696252742235
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.69319788162904
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 0.885172382194331
variable y0 equal ${yi}
variable y0 equal 0.0248975276947021
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 0.811495509940913
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 0.0115002632141113
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
354 -2.9871562 0.29508124 0.31972163
355 -2.9871562 0.29508124 0.70233107
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 3 x ${x0}
set atom 3 x 0.885172382194331
1 settings made for x
set atom $i y ${y0}
set atom 3 y ${y0}
set atom 3 y 0.0248975276947021
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.65137007117053
variable y0 equal ${yi}
variable y0 equal 4.58490908497735
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.69552061438342
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.51204549426003
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
355 -2.9871562 0.29508124 0.70233107
356 -2.9871562 0.29508124 0.33354179
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.65137007117053
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.58490908497735
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.98053418357364
variable y0 equal ${yi}
variable y0 equal 6.63511340157023
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.97472019155017
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.60899307266703
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
356 -2.9871562 0.29508124 0.33354179
357 -2.9871562 0.29508124 0.26396275
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.26396274971894
variable naccept equal ${increment}
variable naccept equal 134
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.12992211023675
variable y0 equal ${yi}
variable y0 equal 5.55094037001329
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.15197625795709
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.63342326824861
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
357 -2.9871562 0.26396275 0.26396275
358 -2.9871562 0.26396275 0.2970507
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.12992211023675
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.55094037001329
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.2262481812498
variable y0 equal ${yi}
variable y0 equal 2.83032892915109
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1710992936155
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.86930716010431
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
358 -2.9871562 0.26396275 0.2970507
359 -2.9871562 0.26396275 0.38303292
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.2262481812498
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.83032892915109
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 1.93844582477913
variable y0 equal ${yi}
variable y0 equal 9.28443172681659
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 1.98384495416985
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.23920365083545
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
359 -2.9871562 0.26396275 0.38303292
360 -2.9871562 0.26396275 0.26529661
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 1.93844582477913
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 9.28443172681659
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1610254410764
variable y0 equal ${yi}
variable y0 equal 8.2609955064207
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.0828326229116
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.30345684207973
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
360 -2.9871562 0.26396275 0.26529661
361 -2.9871562 0.26396275 0.27401982
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.1610254410764
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.2609955064207
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.50696252742235
variable y0 equal ${yi}
variable y0 equal 5.69319788162904
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.54028536239092
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.75229939167695
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
361 -2.9871562 0.26396275 0.27401982
362 -2.9871562 0.26396275 0.31379274
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.50696252742235
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.69319788162904
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.662689776817227
variable y0 equal ${yi}
variable y0 equal 2.67404042455056
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.636496813693905
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.67731568786004
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
362 -2.9871562 0.26396275 0.31379274
363 -2.9871562 0.26396275 0.25571674
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.255716735422817
variable naccept equal ${increment}
variable naccept equal 135
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.49662653047811
variable y0 equal ${yi}
variable y0 equal 7.37432011690402
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.44483136263156
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
363 -2.9871562 0.25571674 0.25571674
364 -2.9871562 0.25571674 0.19111581
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.191115810675534
variable naccept equal ${increment}
variable naccept equal 136
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.636496813693905
variable y0 equal ${yi}
variable y0 equal 2.67731568786004
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.71856998960104
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.73856755467751
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
364 -2.9871562 0.19111581 0.19111581
365 -2.9871562 0.19111581 0.2687628
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.636496813693905
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.67731568786004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.79604673901683
variable y0 equal ${yi}
variable y0 equal 2.83362374278405
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.76497661391383
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.84230167838433
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
365 -2.9871562 0.19111581 0.2687628
366 -2.9871562 0.19111581 0.19500906
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.79604673901683
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.83362374278405
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.419449497847
variable y0 equal ${yi}
variable y0 equal 3.62166059775483
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.33346389689867
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.65696188969743
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
366 -2.9871562 0.19111581 0.19500906
367 -2.9871562 0.19111581 0.23663173
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.419449497847
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.62166059775483
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.527979464927579
variable y0 equal ${yi}
variable y0 equal 8.19242875494059
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.467086871066953
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.28344582237299
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
367 -2.9871562 0.19111581 0.23663173
368 -2.9871562 0.19111581 0.12582147
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.125821468602904
variable naccept equal ${increment}
variable naccept equal 137
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 5.01025660871802
variable y0 equal ${yi}
variable y0 equal 6.54333757893076
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.9486086213523
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.50839406982889
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
368 -2.9871562 0.12582147 0.12582147
369 -2.9871562 0.12582147 0.097751484
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.0977514839049006
variable naccept equal ${increment}
variable naccept equal 138
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.71824898600359
variable y0 equal ${yi}
variable y0 equal 0.933647318590014
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.80852850556154
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.995412464845507
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
369 -2.9871562 0.097751484 0.097751484
370 -2.9871562 0.097751484 0.1632799
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.71824898600359
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.933647318590014
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.2262481812498
variable y0 equal ${yi}
variable y0 equal 2.83032892915109
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1941377643606
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.88416973325113
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
370 -2.9871562 0.097751484 0.1632799
371 -2.9871562 0.097751484 0.20873771
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.2262481812498
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.83032892915109
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.71824898600359
variable y0 equal ${yi}
variable y0 equal 0.933647318590014
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.62032703041811
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.920044656503527
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
371 -2.9871562 0.097751484 0.20873771
372 -2.9871562 0.097751484 0.087508691
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.0875086909447649
variable naccept equal ${increment}
variable naccept equal 139
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.3339799050351
variable y0 equal ${yi}
variable y0 equal 0.744276662576526
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.4201985482236
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.781599982488483
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
372 -2.9871562 0.087508691 0.087508691
373 -2.9871562 0.087508691 0.21932996
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.3339799050351
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.744276662576526
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.05291998106987
variable y0 equal ${yi}
variable y0 equal 6.54749028221598
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.12892665583641
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.566815645852
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
373 -2.9871562 0.087508691 0.21932996
374 -2.9871562 0.087508691 0.072557679
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.0725576787877623
variable naccept equal ${increment}
variable naccept equal 140
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.66069640396712
variable y0 equal ${yi}
variable y0 equal 3.55637566609514
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.59941504477141
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.61995392604006
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
374 -2.9871562 0.072557679 0.072557679
375 -2.9871562 0.072557679 0.015952498
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.01595249792244
variable naccept equal ${increment}
variable naccept equal 141
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.15834543148385
variable y0 equal ${yi}
variable y0 equal 1.95142827413148
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.16643180290566
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 2.00440783879823
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
375 -2.9871562 0.015952498 0.015952498
376 -2.9871562 0.015952498 0.019542348
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.15834543148385
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.95142827413148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.36620524643976
variable y0 equal ${yi}
variable y0 equal 3.64652795357835
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.40990429638941
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.55323563380372
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
376 -2.9871562 0.015952498 0.019542348
377 -2.9871562 0.015952498 0.030311792
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.36620524643976
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.64652795357835
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.12992211023675
variable y0 equal ${yi}
variable y0 equal 5.55094037001329
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.18878640571939
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.5354710811873
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
377 -2.9871562 0.015952498 0.030311792
378 -2.9871562 0.015952498 0.013943455
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal 0.0139434553537386
variable naccept equal ${increment}
variable naccept equal 142
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1148146752378
variable y0 equal ${yi}
variable y0 equal 4.54698911065027
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.0559338335058
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.48674157017633
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
378 -2.9871562 0.013943455 0.013943455
379 -2.9871562 0.013943455 0.037957782
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.1148146752378
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.54698911065027
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.18878640571939
variable y0 equal ${yi}
variable y0 equal 5.5354710811873
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.23728191295969
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.58496802990632
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
379 -2.9871562 0.013943455 0.037957782
380 -2.9871562 0.013943455 0.028182742
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.18878640571939
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5354710811873
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.92452969192802
variable y0 equal ${yi}
variable y0 equal 2.87330106469491
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.94397565960228
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.80666787597039
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
380 -2.9871562 0.013943455 0.028182742
381 -2.9871562 0.013943455 0.038726377
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.92452969192802
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.87330106469491
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.92452969192802
variable y0 equal ${yi}
variable y0 equal 2.87330106469491
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.85538826822578
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.91704781028131
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
381 -2.9871562 0.013943455 0.038726377
382 -2.9871562 0.013943455 -0.0029113681
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.00291136808799739
variable naccept equal ${increment}
variable naccept equal 143
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 6.08646931607715
variable y0 equal ${yi}
variable y0 equal 4.56544599884912
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 6.03489085395328
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.55223173254892
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
382 -2.9871562 -0.0029113681 -0.0029113681
383 -2.9871562 -0.0029113681 -0.018510184
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.0185101842136625
variable naccept equal ${increment}
variable naccept equal 144
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.83310471732608
variable y0 equal ${yi}
variable y0 equal 8.3484317771345
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.76145250756732
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.42561675228175
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
383 -2.9871562 -0.018510184 -0.018510184
384 -2.9871562 -0.018510184 -0.0016797519
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.83310471732608
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.3484317771345
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.82006587265608
variable y0 equal ${yi}
variable y0 equal 7.43660313215518
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.8102262306082
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.35523183670306
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
384 -2.9871562 -0.018510184 -0.0016797519
385 -2.9871562 -0.018510184 -0.086884167
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.0868841674646081
variable naccept equal ${increment}
variable naccept equal 145
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.30328945000382
variable y0 equal ${yi}
variable y0 equal 9.24472218263477
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.23321030218812
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 9.32075173366398
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
385 -2.9871562 -0.086884167 -0.086884167
386 -2.9871562 -0.086884167 -0.084585275
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.30328945000382
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 9.24472218263477
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.42171926577302
variable y0 equal ${yi}
variable y0 equal 7.38157400217318
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.39214122374269
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.32321853962206
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
386 -2.9871562 -0.086884167 -0.084585275
387 -2.9871562 -0.086884167 -0.09485721
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.0948572100933628
variable naccept equal ${increment}
variable naccept equal 146
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.73812366922331
variable y0 equal ${yi}
variable y0 equal 2.96562054129937
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.64777944286299
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.8657853600631
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
387 -2.9871562 -0.09485721 -0.09485721
388 -2.9871562 -0.09485721 -0.13734918
Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.137349179549931
variable naccept equal ${increment}
variable naccept equal 147
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.24925089835683
variable y0 equal ${yi}
variable y0 equal 9.24181336868137
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.16547834634343
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 9.2590243886742
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
388 -2.9871562 -0.13734918 -0.13734918
389 -2.9871562 -0.13734918 -0.098568982
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.24925089835683
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 9.24181336868137
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.00807849486523
variable y0 equal ${yi}
variable y0 equal 3.67135943932665
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.05134166796856
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.61244489712847
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
389 -2.9871562 -0.13734918 -0.098568982
390 -2.9871562 -0.13734918 -0.10615077
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.00807849486523
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.67135943932665
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.07615996002056
variable y0 equal ${yi}
variable y0 equal 4.7173995649235
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.03701606391765
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.68836074227259
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
390 -2.9871562 -0.13734918 -0.10615077
391 -2.9871562 -0.13734918 -0.13125562
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.07615996002056
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.7173995649235
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.36620524643976
variable y0 equal ${yi}
variable y0 equal 3.64652795357835
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.44271840571481
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.64753458066117
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
391 -2.9871562 -0.13734918 -0.13125562
392 -2.9871562 -0.13734918 -0.25371275
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.253712748217588
variable naccept equal ${increment}
variable naccept equal 148
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.8558085254777
variable y0 equal ${yi}
variable y0 equal 4.56099074238703
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.79853938141947
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.56348908299372
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
392 -2.9871562 -0.25371275 -0.25371275
393 -2.9871562 -0.25371275 -0.31400487
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.314004871066545
variable naccept equal ${increment}
variable naccept equal 149
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.00807849486523
variable y0 equal ${yi}
variable y0 equal 3.67135943932665
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 0.98558675368481
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.62238544983996
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
393 -2.9871562 -0.31400487 -0.31400487
394 -2.9871562 -0.31400487 -0.29631142
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.00807849486523
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.67135943932665
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 9.01416312176735
variable y0 equal ${yi}
variable y0 equal 1.02543041299614
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.95588066298515
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.958170147645798
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
394 -2.9871562 -0.31400487 -0.29631142
395 -2.9871562 -0.31400487 -0.35531513
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.355315125754531
variable naccept equal ${increment}
variable naccept equal 150
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.79604673901683
variable y0 equal ${yi}
variable y0 equal 2.83362374278405
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.80888134757167
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.87047326537469
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
395 -2.9871562 -0.35531513 -0.35531513
396 -2.9871562 -0.35531513 -0.35595282
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.355952820953483
variable naccept equal ${increment}
variable naccept equal 151
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.55511315026705
variable y0 equal ${yi}
variable y0 equal 9.1494782041344
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.63540090480273
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.05229873168796
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
396 -2.9871562 -0.35595282 -0.35595282
397 -2.9871562 -0.35595282 -0.15681053
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.55511315026705
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.1494782041344
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.52982973018114
variable y0 equal ${yi}
variable y0 equal 7.44936907615924
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.52930599608843
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.42580200758243
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
397 -2.9871562 -0.35595282 -0.15681053
398 -2.9871562 -0.35595282 -0.37581021
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.375810205703133
variable naccept equal ${increment}
variable naccept equal 152
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.80888134757167
variable y0 equal ${yi}
variable y0 equal 2.87047326537469
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.8890337161172
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.87338973256448
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
398 -2.9871562 -0.37581021 -0.37581021
399 -2.9871562 -0.37581021 -0.35070657
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.80888134757167
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.87047326537469
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.94675312637188
variable y0 equal ${yi}
variable y0 equal 0.975284381616443
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.98992828725674
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 1.05625400136742
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
399 -2.9871562 -0.37581021 -0.35070657
400 -2.9871562 -0.37581021 -0.2934604
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.94675312637188
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.975284381616443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.6012957851019
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.70070848031175
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
400 -2.9871562 -0.37581021 -0.2934604
401 -2.9871562 -0.37581021 -0.16337613
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.30328945000382
variable y0 equal ${yi}
variable y0 equal 9.24472218263477
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.31488733370514
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 9.32251842725605
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
401 -2.9871562 -0.37581021 -0.16337613
402 -2.9871562 -0.37581021 -0.37565206
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.375652055580076
variable naccept equal ${increment}
variable naccept equal 153
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.18878640571939
variable y0 equal ${yi}
variable y0 equal 5.5354710811873
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.17491293588983
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.48421963398653
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
402 -2.9871562 -0.37565206 -0.37565206
403 -2.9871562 -0.37565206 -0.37225402
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.18878640571939
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5354710811873
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1610254410764
variable y0 equal ${yi}
variable y0 equal 8.2609955064207
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1835418347379
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.24674498952922
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
403 -2.9871562 -0.37565206 -0.37225402
404 -2.9871562 -0.37565206 -0.37288201
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.1610254410764
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.2609955064207
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.07615996002056
variable y0 equal ${yi}
variable y0 equal 4.7173995649235
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 7.98369615672924
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.74513911360667
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
404 -2.9871562 -0.37565206 -0.37288201
405 -2.9871562 -0.37565206 -0.33818494
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.07615996002056
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.7173995649235
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.25381002505036
variable y0 equal ${yi}
variable y0 equal 3.80343433184755
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.22407763083192
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.88091249032152
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
405 -2.9871562 -0.37565206 -0.33818494
406 -2.9871562 -0.37565206 -0.056524228
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.25381002505036
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.80343433184755
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.25381002505036
variable y0 equal ${yi}
variable y0 equal 3.80343433184755
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.16376730282517
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.79501231475008
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
406 -2.9871562 -0.37565206 -0.056524228
407 -2.9871562 -0.37565206 -0.28113249
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.25381002505036
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.80343433184755
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.97641189375564
variable y0 equal ${yi}
variable y0 equal 2.79607654782632
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.95992501059219
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.78535908433297
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
407 -2.9871562 -0.37565206 -0.28113249
408 -2.9871562 -0.37565206 -0.37074376
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.97641189375564
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.79607654782632
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.59941504477141
variable y0 equal ${yi}
variable y0 equal 3.61995392604006
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.58793857573149
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.56021992726458
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
408 -2.9871562 -0.37565206 -0.37074376
409 -2.9871562 -0.37565206 -0.33435839
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.59941504477141
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.61995392604006
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.95269535421668
variable y0 equal ${yi}
variable y0 equal 4.50253551358148
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 5.02775023817359
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.42098615521356
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
409 -2.9871562 -0.37565206 -0.33435839
410 -2.9871562 -0.37565206 -0.15953732
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.95269535421668
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.50253551358148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.43141517479192
variable y0 equal ${yi}
variable y0 equal 5.56478210632998
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.37508015472661
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.53550324385363
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
410 -2.9871562 -0.37565206 -0.15953732
411 -2.9871562 -0.37565206 -0.35353521
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 75 x ${x0}
set atom 75 x 7.43141517479192
1 settings made for x
set atom $i y ${y0}
set atom 75 y ${y0}
set atom 75 y 5.56478210632998
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.5705074151211
variable y0 equal ${yi}
variable y0 equal 5.44929230158525
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.6419550736599
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.43447923605638
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
411 -2.9871562 -0.37565206 -0.35353521
412 -2.9871562 -0.37565206 -0.40290452
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.402904521900275
variable naccept equal ${increment}
variable naccept equal 154
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1610254410764
variable y0 equal ${yi}
variable y0 equal 8.2609955064207
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1072169307729
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.22592346586284
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
412 -2.9871562 -0.40290452 -0.40290452
413 -2.9871562 -0.40290452 -0.35728825
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.1610254410764
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.2609955064207
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.70367804964019
variable y0 equal ${yi}
variable y0 equal 0.934533329713668
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.68636388977004
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 1.00753840993675
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
413 -2.9871562 -0.40290452 -0.35728825
414 -2.9871562 -0.40290452 -0.40257605
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.70367804964019
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.934533329713668
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.64665825565291
variable y0 equal ${yi}
variable y0 equal 4.58244173878595
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.64626271923018
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.59080871695444
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
414 -2.9871562 -0.40290452 -0.40257605
415 -2.9871562 -0.40290452 -0.40764742
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.407647423303261
variable naccept equal ${increment}
variable naccept equal 155
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 0.0268441557884216
variable y0 equal ${yi}
variable y0 equal 0.0427583456039429
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x -0.00359064340591434
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 0.0381360530853272
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
415 -2.9871562 -0.40764742 -0.40764742
416 -2.9871562 -0.40764742 -0.41381451
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.413814512691682
variable naccept equal ${increment}
variable naccept equal 156
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.3339799050351
variable y0 equal ${yi}
variable y0 equal 0.744276662576526
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.3526916984578
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.79871677945885
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
416 -2.9871562 -0.41381451 -0.41381451
417 -2.9871562 -0.41381451 -0.56534429
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.565344294817149
variable naccept equal ${increment}
variable naccept equal 157
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 0.885172382194331
variable y0 equal ${yi}
variable y0 equal 0.0248975276947021
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 0.887986353236964
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y -0.00142977237701421
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
417 -2.9871562 -0.56534429 -0.56534429
418 -2.9871562 -0.56534429 -0.57293845
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.572938446396488
variable naccept equal ${increment}
variable naccept equal 158
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.00807849486523
variable y0 equal ${yi}
variable y0 equal 3.67135943932665
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.03878695090466
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.69885422749651
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
418 -2.9871562 -0.57293845 -0.57293845
419 -2.9871562 -0.57293845 -0.57786873
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.577868728488782
variable naccept equal ${increment}
variable naccept equal 159
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.13253129164086
variable y0 equal ${yi}
variable y0 equal 3.65379038615358
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.2294186178814
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.65019634528291
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
419 -2.9871562 -0.57786873 -0.57786873
420 -2.9871562 -0.57786873 -0.50890601
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.13253129164086
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.65379038615358
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.52930599608843
variable y0 equal ${yi}
variable y0 equal 7.42580200758243
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.58716782489245
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.40188271131778
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
420 -2.9871562 -0.57786873 -0.50890601
421 -2.9871562 -0.57786873 -0.60726177
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.607261765732202
variable naccept equal ${increment}
variable naccept equal 160
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.21386092105771
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.38727816667819
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
421 -2.9871562 -0.60726177 -0.60726177
422 -2.9871562 -0.60726177 -0.34264401
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.20485454518349
variable y0 equal ${yi}
variable y0 equal 4.87068404311105
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.19003845173867
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.92800234908029
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
422 -2.9871562 -0.60726177 -0.34264401
423 -2.9871562 -0.60726177 -0.59375216
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.20485454518349
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.87068404311105
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89841231384918
variable y0 equal ${yi}
variable y0 equal 1.04761657308372
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.89916241446182
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 1.11506701301368
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
423 -2.9871562 -0.60726177 -0.59375216
424 -2.9871562 -0.60726177 -0.5827688
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.89841231384918
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 1.04761657308372
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.07615996002056
variable y0 equal ${yi}
variable y0 equal 4.7173995649235
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.0944710194955
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.65609761828349
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
424 -2.9871562 -0.60726177 -0.5827688
425 -2.9871562 -0.60726177 -0.61137285
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.611372854209153
variable naccept equal ${increment}
variable naccept equal 161
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal -0.00359064340591434
variable y0 equal ${yi}
variable y0 equal 0.0381360530853272
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x -0.0483680248260498
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 0.0548078656196595
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
425 -2.9871562 -0.61137285 -0.61137285
426 -2.9871562 -0.61137285 -0.5213177
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x -0.00359064340591434
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 0.0381360530853272
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.41063080866109
variable y0 equal ${yi}
variable y0 equal 3.65039785666597
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.49241850216161
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.62302048964632
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
426 -2.9871562 -0.61137285 -0.5213177
427 -2.9871562 -0.61137285 -0.61945438
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.619454384703692
variable naccept equal ${increment}
variable naccept equal 162
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31064851680662
variable y0 equal ${yi}
variable y0 equal 1.91864991567201
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.39310233989622
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.95581401965684
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
427 -2.9871562 -0.61945438 -0.61945438
428 -2.9871562 -0.61945438 -0.61480823
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31064851680662
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.91864991567201
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.6419550736599
variable y0 equal ${yi}
variable y0 equal 5.43447923605638
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.603181334322
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.38229488079744
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
428 -2.9871562 -0.61945438 -0.61480823
429 -2.9871562 -0.61945438 -0.56775191
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 10.6419550736599
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.43447923605638
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.21498584508458
variable y0 equal ${yi}
variable y0 equal 1.99597549817627
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.19226642608205
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.99900682351654
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
429 -2.9871562 -0.61945438 -0.56775191
430 -2.9871562 -0.61945438 -0.62252018
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.622520181065607
variable naccept equal ${increment}
variable naccept equal 163
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.24925089835683
variable y0 equal ${yi}
variable y0 equal 9.24181336868137
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.18484719752828
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 9.32755983579487
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
430 -2.9871562 -0.62252018 -0.62252018
431 -2.9871562 -0.62252018 -0.68079701
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.6807970112752
variable naccept equal ${increment}
variable naccept equal 164
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.62032703041811
variable y0 equal ${yi}
variable y0 equal 0.920044656503527
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.64834408640642
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.990291782129137
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
431 -2.9871562 -0.68079701 -0.68079701
432 -2.9871562 -0.68079701 -0.66282209
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.62032703041811
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.920044656503527
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.59941504477141
variable y0 equal ${yi}
variable y0 equal 3.61995392604006
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.54351456640837
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.68936000628603
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
432 -2.9871562 -0.68079701 -0.66282209
433 -2.9871562 -0.68079701 -0.69613081
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.69613080798001
variable naccept equal ${increment}
variable naccept equal 165
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.75239680647192
variable y0 equal ${yi}
variable y0 equal 8.22711012281474
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.77505602478323
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.19277658380565
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
433 -2.9871562 -0.69613081 -0.69613081
434 -2.9871562 -0.69613081 -0.63821022
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.75239680647192
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.22711012281474
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.14124523719006
variable y0 equal ${yi}
variable y0 equal 7.51275172558093
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.14560641368084
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.57244667139316
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
434 -2.9871562 -0.69613081 -0.63821022
435 -2.9871562 -0.69613081 -0.66458857
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.14124523719006
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.51275172558093
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.13253129164086
variable y0 equal ${yi}
variable y0 equal 3.65379038615358
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.04630065599785
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.55691721005571
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
435 -2.9871562 -0.69613081 -0.66458857
436 -2.9871562 -0.69613081 -0.50020529
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.13253129164086
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.65379038615358
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89841231384918
variable y0 equal ${yi}
variable y0 equal 1.04761657308372
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.8845204738681
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 1.04688491414817
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
436 -2.9871562 -0.69613081 -0.50020529
437 -2.9871562 -0.69613081 -0.69634254
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.696342540664597
variable naccept equal ${increment}
variable naccept equal 166
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.15621249993496
variable y0 equal ${yi}
variable y0 equal 1.78515173575944
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.17116021235638
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.7085529484517
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
437 -2.9871562 -0.69634254 -0.69634254
438 -2.9871562 -0.69634254 -0.63091112
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.15621249993496
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.78515173575944
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.86377175688087
variable y0 equal ${yi}
variable y0 equal 0.979123874414294
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.84791668295204
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 1.02251362394127
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
438 -2.9871562 -0.69634254 -0.63091112
439 -2.9871562 -0.69634254 -0.69035981
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.86377175688087
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.979123874414294
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.12892665583641
variable y0 equal ${yi}
variable y0 equal 6.566815645852
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.16566354949028
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.59235119358531
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
439 -2.9871562 -0.69634254 -0.69035981
440 -2.9871562 -0.69634254 -0.69152529
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.12892665583641
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.566815645852
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.04694936870433
variable y0 equal ${yi}
variable y0 equal 6.52130033508768
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.12744101880885
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.56631985441675
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
440 -2.9871562 -0.69634254 -0.69152529
441 -2.9871562 -0.69634254 -0.7244268
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.72442679734782
variable naccept equal ${increment}
variable naccept equal 167
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.39214122374269
variable y0 equal ${yi}
variable y0 equal 7.32321853962206
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.36542353708955
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.24927220669054
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
441 -2.9871562 -0.7244268 -0.7244268
442 -2.9871562 -0.7244268 -0.43857043
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.39214122374269
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.32321853962206
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.47960474648897
variable y0 equal ${yi}
variable y0 equal 1.80078221938676
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.49348578610842
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.80821938893861
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
442 -2.9871562 -0.7244268 -0.43857043
443 -2.9871562 -0.7244268 -0.72571206
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.725712057512812
variable naccept equal ${increment}
variable naccept equal 168
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.64626271923018
variable y0 equal ${yi}
variable y0 equal 4.59080871695444
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.73121382196379
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.59236890429422
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
443 -2.9871562 -0.72571206 -0.72571206
444 -2.9871562 -0.72571206 -0.69616183
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.64626271923018
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.59080871695444
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.3526916984578
variable y0 equal ${yi}
variable y0 equal 0.79871677945885
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.3580195311566
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.876792534101337
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
444 -2.9871562 -0.72571206 -0.69616183
445 -2.9871562 -0.72571206 -0.83374846
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.833748461449161
variable naccept equal ${increment}
variable naccept equal 169
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.69907911896487
variable y0 equal ${yi}
variable y0 equal 6.46656938330165
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.79258576512118
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.3892257763528
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
445 -2.9871562 -0.83374846 -0.83374846
446 -2.9871562 -0.83374846 -0.76294504
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.69907911896487
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46656938330165
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.20485454518349
variable y0 equal ${yi}
variable y0 equal 4.87068404311105
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.14132251460106
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.91687022799417
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
446 -2.9871562 -0.83374846 -0.76294504
447 -2.9871562 -0.83374846 -0.83968471
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.839684713491453
variable naccept equal ${increment}
variable naccept equal 170
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 1.93844582477913
variable y0 equal ${yi}
variable y0 equal 9.28443172681659
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 1.90599263349877
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.19636369455188
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
447 -2.9871562 -0.83968471 -0.83968471
448 -2.9871562 -0.83968471 -0.73232511
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 1.93844582477913
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 9.28443172681659
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.12892665583641
variable y0 equal ${yi}
variable y0 equal 6.566815645852
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.1799755902961
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.56346605555049
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
448 -2.9871562 -0.83968471 -0.73232511
449 -2.9871562 -0.83968471 -0.84562458
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.845624583064159
variable naccept equal ${increment}
variable naccept equal 171
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.97641189375564
variable y0 equal ${yi}
variable y0 equal 2.79607654782632
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.91550807037994
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.76178218098977
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
449 -2.9871562 -0.84562458 -0.84562458
450 -2.9871562 -0.84562458 -0.78590212
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.97641189375564
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.79607654782632
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.670342476764585
variable y0 equal ${yi}
variable y0 equal 6.59568084017267
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.62701316634741
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.6135581208848
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
450 -2.9871562 -0.84562458 -0.78590212
451 -2.9871562 -0.84562458 -0.79170794
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.670342476764585
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.59568084017267
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal -0.00359064340591434
variable y0 equal ${yi}
variable y0 equal 0.0381360530853272
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 0.0401515126228332
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 0.051648759841919
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
451 -2.9871562 -0.84562458 -0.79170794
452 -2.9871562 -0.84562458 -0.74997254
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x -0.00359064340591434
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 0.0381360530853272
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.37933925469132
variable y0 equal ${yi}
variable y0 equal 5.58286277001101
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.47349561531754
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.50000146572787
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
452 -2.9871562 -0.84562458 -0.74997254
453 -2.9871562 -0.84562458 -0.82564283
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.37933925469132
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.58286277001101
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.2262481812498
variable y0 equal ${yi}
variable y0 equal 2.83032892915109
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.3209650997183
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.73197911950448
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
453 -2.9871562 -0.84562458 -0.82564283
454 -2.9871562 -0.84562458 -0.76912295
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.2262481812498
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.83032892915109
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.15621249993496
variable y0 equal ${yi}
variable y0 equal 1.78515173575944
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.15155310948544
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.8275491871602
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
454 -2.9871562 -0.84562458 -0.76912295
455 -2.9871562 -0.84562458 -0.85236367
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.852363666350836
variable naccept equal ${increment}
variable naccept equal 172
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.6419550736599
variable y0 equal ${yi}
variable y0 equal 5.43447923605638
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.6194513638668
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.51495547239976
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
455 -2.9871562 -0.85236367 -0.85236367
456 -2.9871562 -0.85236367 -0.86191741
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.861917405416603
variable naccept equal ${increment}
variable naccept equal 173
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.64626271923018
variable y0 equal ${yi}
variable y0 equal 4.59080871695444
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.69588495691252
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.61304315680429
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
456 -2.9871562 -0.86191741 -0.86191741
457 -2.9871562 -0.86191741 -0.86625399
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.866253987663703
variable naccept equal ${increment}
variable naccept equal 174
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.39294121979791
variable y0 equal ${yi}
variable y0 equal 7.42644421186709
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.38658518313486
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.46601674881243
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
457 -2.9871562 -0.86625399 -0.86625399
458 -2.9871562 -0.86625399 -0.88886353
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.888863533175298
variable naccept equal ${increment}
variable naccept equal 175
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.05527156868621
variable y0 equal ${yi}
variable y0 equal 4.53311400765344
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.10399909296676
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.54287984723016
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
458 -2.9871562 -0.88886353 -0.88886353
459 -2.9871562 -0.88886353 -0.88307256
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.05527156868621
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.53311400765344
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.86377175688087
variable y0 equal ${yi}
variable y0 equal 0.979123874414294
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.93643027185737
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.935460694539874
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
459 -2.9871562 -0.88886353 -0.88307256
460 -2.9871562 -0.88886353 -0.86062542
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.86377175688087
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.979123874414294
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.0944710194955
variable y0 equal ${yi}
variable y0 equal 4.65609761828349
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.07701476215221
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.75187495106624
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
460 -2.9871562 -0.88886353 -0.86062542
461 -2.9871562 -0.88886353 -0.87932292
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.0944710194955
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.65609761828349
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.21781034866239
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y -0.0193086504936243
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
461 -2.9871562 -0.88886353 -0.87932292
462 -2.9871562 -0.88886353 -0.84113792
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.49241850216161
variable y0 equal ${yi}
variable y0 equal 3.62302048964632
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.46428811390172
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.72214555306566
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
462 -2.9871562 -0.88886353 -0.84113792
463 -2.9871562 -0.88886353 -0.86531853
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.49241850216161
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.62302048964632
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.636496813693905
variable y0 equal ${yi}
variable y0 equal 2.67731568786004
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.703246589103603
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.73100906583169
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
463 -2.9871562 -0.88886353 -0.86531853
464 -2.9871562 -0.88886353 -0.85111057
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.636496813693905
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.67731568786004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.13253129164086
variable y0 equal ${yi}
variable y0 equal 3.65379038615358
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.0545358721386
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.56091283126009
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
464 -2.9871562 -0.88886353 -0.85111057
465 -2.9871562 -0.88886353 -0.71392224
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.13253129164086
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.65379038615358
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.42834627150613
variable y0 equal ${yi}
variable y0 equal 5.4691439980765
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.5081527423771
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.47238255684573
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
465 -2.9871562 -0.88886353 -0.71392224
466 -2.9871562 -0.88886353 -0.86866568
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.42834627150613
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.4691439980765
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.51600958505536
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.73383900685441
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
466 -2.9871562 -0.88886353 -0.86866568
467 -2.9871562 -0.88886353 -0.87868054
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.80888134757167
variable y0 equal ${yi}
variable y0 equal 2.87047326537469
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.83821101704723
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.93459080430368
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
467 -2.9871562 -0.88886353 -0.87868054
468 -2.9871562 -0.88886353 -0.86683867
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.80888134757167
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.87047326537469
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.97641189375564
variable y0 equal ${yi}
variable y0 equal 2.79607654782632
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.974634220988
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.75589405270913
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
468 -2.9871562 -0.88886353 -0.86683867
469 -2.9871562 -0.88886353 -0.85257734
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.97641189375564
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.79607654782632
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.15834543148385
variable y0 equal ${yi}
variable y0 equal 1.95142827413148
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.12454481760369
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.94046374938554
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
469 -2.9871562 -0.88886353 -0.85257734
470 -2.9871562 -0.88886353 -0.88442556
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.15834543148385
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.95142827413148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.39214122374269
variable y0 equal ${yi}
variable y0 equal 7.32321853962206
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.35480908234331
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.28787796821856
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
470 -2.9871562 -0.88886353 -0.88442556
471 -2.9871562 -0.88886353 -0.75982853
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.39214122374269
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.32321853962206
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.75239680647192
variable y0 equal ${yi}
variable y0 equal 8.22711012281474
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.66485737203894
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.14631723083552
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
471 -2.9871562 -0.88886353 -0.75982853
472 -2.9871562 -0.88886353 -0.73311386
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.75239680647192
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.22711012281474
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.17907547671348
variable y0 equal ${yi}
variable y0 equal 2.72399175139764
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.13396360594779
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.69964367123941
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
472 -2.9871562 -0.88886353 -0.73311386
473 -2.9871562 -0.88886353 -0.89031801
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.890318005719568
variable naccept equal ${increment}
variable naccept equal 176
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 0.0309651374816895
variable y0 equal ${yi}
variable y0 equal 1.96139423034257
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x -0.0381707668304443
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 2.02808933637208
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
473 -2.9871562 -0.89031801 -0.89031801
474 -2.9871562 -0.89031801 -0.85447669
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 0.0309651374816895
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.96139423034257
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.58716782489245
variable y0 equal ${yi}
variable y0 equal 7.40188271131778
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.55186419644778
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.39371643390918
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
474 -2.9871562 -0.89031801 -0.85447669
475 -2.9871562 -0.89031801 -0.86889161
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.58716782489245
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40188271131778
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.13396360594779
variable y0 equal ${yi}
variable y0 equal 2.69964367123941
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.23381229359656
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.76145812245706
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
475 -2.9871562 -0.89031801 -0.86889161
476 -2.9871562 -0.89031801 -0.87623167
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.13396360594779
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.69964367123941
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.44501340229284
variable y0 equal ${yi}
variable y0 equal 0.0728780150413514
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.52416012127172
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.163225507736206
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
476 -2.9871562 -0.89031801 -0.87623167
477 -2.9871562 -0.89031801 -0.83351133
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.44501340229284
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0728780150413514
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.17658477782765
variable y0 equal ${yi}
variable y0 equal 3.80986476702821
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.15053440093556
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.81802417798173
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
477 -2.9871562 -0.89031801 -0.83351133
478 -2.9871562 -0.89031801 -0.87366868
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.17658477782765
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.80986476702821
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.28540751695195
variable y0 equal ${yi}
variable y0 equal 5.54694495146471
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.23822855710545
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.53474653904634
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
478 -2.9871562 -0.89031801 -0.87366868
479 -2.9871562 -0.89031801 -0.88572498
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.28540751695195
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.54694495146471
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.05527156868621
variable y0 equal ${yi}
variable y0 equal 4.53311400765344
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.10271323004409
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.45094821804925
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
479 -2.9871562 -0.89031801 -0.88572498
480 -2.9871562 -0.89031801 -0.83719732
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.05527156868621
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.53311400765344
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.2623671062729
variable y0 equal ${yi}
variable y0 equal 1.85691285512513
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.33299971897813
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.87642453095979
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
480 -2.9871562 -0.89031801 -0.83719732
481 -2.9871562 -0.89031801 -0.89699502
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.896995015424718
variable naccept equal ${increment}
variable naccept equal 177
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.28540751695195
variable y0 equal ${yi}
variable y0 equal 5.54694495146471
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.3012590146021
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.54728171770769
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
481 -2.9871562 -0.89699502 -0.89699502
482 -2.9871562 -0.89699502 -0.89726848
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.897268482996803
variable naccept equal ${increment}
variable naccept equal 178
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.19670169114628
variable y0 equal ${yi}
variable y0 equal 7.45894124832415
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.28887386083164
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.48794988718295
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
482 -2.9871562 -0.89726848 -0.89726848
483 -2.9871562 -0.89726848 -0.87607999
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.19670169114628
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.45894124832415
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.13253129164086
variable y0 equal ${yi}
variable y0 equal 3.65379038615358
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.22771677414284
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.74925063414705
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
483 -2.9871562 -0.89726848 -0.87607999
484 -2.9871562 -0.89726848 -0.88577969
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.13253129164086
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.65379038615358
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.94675312637188
variable y0 equal ${yi}
variable y0 equal 0.975284381616443
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.96087540983059
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 1.01541907380852
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
484 -2.9871562 -0.89726848 -0.88577969
485 -2.9871562 -0.89726848 -0.88119407
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.94675312637188
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.975284381616443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.49241850216161
variable y0 equal ${yi}
variable y0 equal 3.62302048964632
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.55287954647313
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.68441688580645
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
485 -2.9871562 -0.89726848 -0.88119407
486 -2.9871562 -0.89726848 -0.8225804
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.49241850216161
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.62302048964632
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.13253129164086
variable y0 equal ${yi}
variable y0 equal 3.65379038615358
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.16361460129128
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.71165227456224
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
486 -2.9871562 -0.89726848 -0.8225804
487 -2.9871562 -0.89726848 -0.91656709
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.916567088391419
variable naccept equal ${increment}
variable naccept equal 179
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.6194513638668
variable y0 equal ${yi}
variable y0 equal 5.51495547239976
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.6834881861858
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.59726129715638
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
487 -2.9871562 -0.91656709 -0.91656709
488 -2.9871562 -0.91656709 -0.89446365
Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 10.6194513638668
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.51495547239976
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.44501340229284
variable y0 equal ${yi}
variable y0 equal 0.0728780150413514
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.51193849880468
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.0850179195404054
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
488 -2.9871562 -0.91656709 -0.89446365
489 -2.9871562 -0.91656709 -0.90717998
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.44501340229284
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0728780150413514
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.1799755902961
variable y0 equal ${yi}
variable y0 equal 6.56346605555049
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.23478496987374
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.49416983858577
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
489 -2.9871562 -0.91656709 -0.90717998
490 -2.9871562 -0.91656709 -0.87964192
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.1799755902961
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.56346605555049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.58777606367846
variable y0 equal ${yi}
variable y0 equal 2.84301091405252
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.53418493151446
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.84258589717248
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
490 -2.9871562 -0.91656709 -0.87964192
491 -2.9871562 -0.91656709 -0.87622614
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.58777606367846
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.84301091405252
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.64581083575373
variable y0 equal ${yi}
variable y0 equal 1.1294338900927
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.71182399312144
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.11174833368096
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
491 -2.9871562 -0.91656709 -0.87622614
492 -2.9871562 -0.91656709 -0.93991406
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.939914055610286
variable naccept equal ${increment}
variable naccept equal 180
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.80888134757167
variable y0 equal ${yi}
variable y0 equal 2.87047326537469
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.81457791844493
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.9390703198562
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
492 -2.9871562 -0.93991406 -0.93991406
493 -2.9871562 -0.93991406 -0.92351205
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.80888134757167
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.87047326537469
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.14124523719006
variable y0 equal ${yi}
variable y0 equal 7.51275172558093
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.23123144229107
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.42433375444674
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
493 -2.9871562 -0.93991406 -0.92351205
494 -2.9871562 -0.93991406 -0.90577262
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.14124523719006
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.51275172558093
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.75239680647192
variable y0 equal ${yi}
variable y0 equal 8.22711012281474
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.69303737520514
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.23017823614177
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
494 -2.9871562 -0.93991406 -0.90577262
495 -2.9871562 -0.93991406 -0.93576846
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.75239680647192
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.22711012281474
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.528223629394438
variable y0 equal ${yi}
variable y0 equal 1.0003870446566
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.609000296989348
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.984621043908919
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
495 -2.9871562 -0.93991406 -0.93576846
496 -2.9871562 -0.93991406 -0.9639994
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2380.7% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.963999395410182
variable naccept equal ${increment}
variable naccept equal 181
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.31488733370514
variable y0 equal ${yi}
variable y0 equal 0.0164698362350535
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.30661763031693
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y -0.0829510688781667
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
496 -2.9871562 -0.9639994 -0.9639994
497 -2.9871562 -0.9639994 -0.96260988
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.31488733370514
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.0164698362350535
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.18878640571939
variable y0 equal ${yi}
variable y0 equal 5.5354710811873
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.17021684090005
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.59528572504716
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
497 -2.9871562 -0.9639994 -0.96260988
498 -2.9871562 -0.9639994 -0.95195437
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.18878640571939
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5354710811873
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.43141517479192
variable y0 equal ${yi}
variable y0 equal 5.56478210632998
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.51571308214437
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.64280260746676
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
498 -2.9871562 -0.9639994 -0.95195437
499 -2.9871562 -0.9639994 -0.95291895
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 75 x ${x0}
set atom 75 x 7.43141517479192
1 settings made for x
set atom $i y ${y0}
set atom 75 y ${y0}
set atom 75 y 5.56478210632998
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.3012590146021
variable y0 equal ${yi}
variable y0 equal 5.54728171770769
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.23520749568502
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.53982411568361
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
499 -2.9871562 -0.9639994 -0.95291895
500 -2.9871562 -0.9639994 -0.95857915
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.3012590146021
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.54728171770769
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 6.03489085395328
variable y0 equal ${yi}
variable y0 equal 4.55223173254892
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 6.06574318368427
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.63367779606744
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
500 -2.9871562 -0.9639994 -0.95857915
501 -2.9871562 -0.9639994 -0.932836
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 6.03489085395328
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.55223173254892
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.37933925469132
variable y0 equal ${yi}
variable y0 equal 5.58286277001101
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.30351765234681
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.67239878123003
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
501 -2.9871562 -0.9639994 -0.932836
502 -2.9871562 -0.9639994 -0.95360525
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.37933925469132
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.58286277001101
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.65137007117053
variable y0 equal ${yi}
variable y0 equal 4.58490908497735
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.56707957863589
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.49000581854745
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
502 -2.9871562 -0.9639994 -0.95360525
503 -2.9871562 -0.9639994 -0.93084143
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.65137007117053
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.58490908497735
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.2262481812498
variable y0 equal ${yi}
variable y0 equal 2.83032892915109
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.201530552294
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.91622455092767
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
503 -2.9871562 -0.9639994 -0.93084143
504 -2.9871562 -0.9639994 -0.95018356
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.2262481812498
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.83032892915109
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 0.0309651374816895
variable y0 equal ${yi}
variable y0 equal 1.96139423034257
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 0.0538676500320435
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.89676245830125
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
504 -2.9871562 -0.9639994 -0.95018356
505 -2.9871562 -0.9639994 -0.98671044
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.986710437088353
variable naccept equal ${increment}
variable naccept equal 182
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.85538826822578
variable y0 equal ${yi}
variable y0 equal 2.91704781028131
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.83482123255073
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.90886334153512
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
505 -2.9871562 -0.98671044 -0.98671044
506 -2.9871562 -0.98671044 -0.98721841
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -0.987218412835963
variable naccept equal ${increment}
variable naccept equal 183
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0324743509292791
variable y0 equal ${yi}
variable y0 equal 7.35604211416506
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 0.0200411319732854
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.26692909326815
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
506 -2.9871562 -0.98721841 -0.98721841
507 -2.9871562 -0.98721841 -0.78827279
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0324743509292791
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.35604211416506
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.389929051795865
variable y0 equal ${yi}
variable y0 equal 4.66520722264215
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.453980632224942
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.56575111502573
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
507 -2.9871562 -0.98721841 -0.78827279
508 -2.9871562 -0.98721841 -0.97613202
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 42 x ${x0}
set atom 42 x 0.389929051795865
1 settings made for x
set atom $i y ${y0}
set atom 42 y ${y0}
set atom 42 y 4.66520722264215
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.70367804964019
variable y0 equal ${yi}
variable y0 equal 0.934533329713668
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.62075852354003
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.885039313543166
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
508 -2.9871562 -0.98721841 -0.97613202
509 -2.9871562 -0.98721841 -0.98324775
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.70367804964019
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.934533329713668
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.42834627150613
variable y0 equal ${yi}
variable y0 equal 5.4691439980765
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.33605608462411
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.51777298395831
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
509 -2.9871562 -0.98721841 -0.98324775
510 -2.9871562 -0.98721841 -0.9309481
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.42834627150613
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.4691439980765
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0324743509292791
variable y0 equal ${yi}
variable y0 equal 7.35604211416506
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.38692112293505
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
510 -2.9871562 -0.98721841 -0.9309481
511 -2.9871562 -0.98721841 -1.0056265
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.00562648061524
variable naccept equal ${increment}
variable naccept equal 184
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.58716782489245
variable y0 equal ${yi}
variable y0 equal 7.40188271131778
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.40728055563236
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
511 -2.9871562 -1.0056265 -1.0056265
512 -2.9871562 -1.0056265 -1.0232675
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.02326748475135
variable naccept equal ${increment}
variable naccept equal 185
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.97641189375564
variable y0 equal ${yi}
variable y0 equal 2.79607654782632
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 7.01354279795333
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.75407738658288
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
512 -2.9871562 -1.0232675 -1.0232675
513 -2.9871562 -1.0232675 -0.97235281
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.97641189375564
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.79607654782632
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 6.03489085395328
variable y0 equal ${yi}
variable y0 equal 4.55223173254892
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 6.12476801831714
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.5479519760029
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
513 -2.9871562 -1.0232675 -0.97235281
514 -2.9871562 -1.0232675 -0.9733093
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 6.03489085395328
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.55223173254892
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.94675312637188
variable y0 equal ${yi}
variable y0 equal 0.975284381616443
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.89360781310894
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.970815511453479
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
514 -2.9871562 -1.0232675 -0.9733093
515 -2.9871562 -1.0232675 -1.0238261
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.02382614480157
variable naccept equal ${increment}
variable naccept equal 186
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.11236243842937
variable y0 equal ${yi}
variable y0 equal 8.24853718198832
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.16749274133541
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.34748827137049
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
515 -2.9871562 -1.0238261 -1.0238261
516 -2.9871562 -1.0238261 -0.95167848
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.11236243842937
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.24853718198832
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.69907911896487
variable y0 equal ${yi}
variable y0 equal 6.46656938330165
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.73431064963122
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.40972129837504
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
516 -2.9871562 -1.0238261 -0.95167848
517 -2.9871562 -1.0238261 -1.0061933
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.69907911896487
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46656938330165
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.71809613902999
variable y0 equal ${yi}
variable y0 equal 6.45324923531046
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.78488953311874
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.49416505829325
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
517 -2.9871562 -1.0238261 -1.0061933
518 -2.9871562 -1.0238261 -1.0277688
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.02776876335561
variable naccept equal ${increment}
variable naccept equal 187
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.74200649777537
variable y0 equal ${yi}
variable y0 equal 8.32967373050746
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.69423400679713
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.37340822137889
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
518 -2.9871562 -1.0277688 -1.0277688
519 -2.9871562 -1.0277688 -0.97298252
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.74200649777537
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.32967373050746
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.8102262306082
variable y0 equal ${yi}
variable y0 equal 7.35523183670306
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.79539506910918
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.31491797294879
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
519 -2.9871562 -1.0277688 -0.97298252
520 -2.9871562 -1.0277688 -1.0338351
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.03383507967303
variable naccept equal ${increment}
variable naccept equal 188
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.03878695090466
variable y0 equal ${yi}
variable y0 equal 3.69885422749651
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.05503968318158
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.70494679970873
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
520 -2.9871562 -1.0338351 -1.0338351
521 -2.9871562 -1.0338351 -1.0336409
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.03364089763611
variable naccept equal ${increment}
variable naccept equal 189
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.97641189375564
variable y0 equal ${yi}
variable y0 equal 2.79607654782632
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 7.03693694153472
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.80541259023049
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
521 -2.9871562 -1.0336409 -1.0336409
522 -2.9871562 -1.0336409 -0.99916001
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.97641189375564
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.79607654782632
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.389929051795865
variable y0 equal ${yi}
variable y0 equal 4.66520722264215
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.452082355419064
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.6216128265278
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
522 -2.9871562 -1.0336409 -0.99916001
523 -2.9871562 -1.0336409 -1.0463628
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.04636276339571
variable naccept equal ${increment}
variable naccept equal 190
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4842599514982
variable y0 equal ${yi}
variable y0 equal 6.47453133598796
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.4157506708166
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.43439372316829
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
523 -2.9871562 -1.0463628 -1.0463628
524 -2.9871562 -1.0463628 -1.0723561
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.07235605530644
variable naccept equal ${increment}
variable naccept equal 191
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.29530951181317
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.46676344003939
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
524 -2.9871562 -1.0723561 -1.0723561
525 -2.9871562 -1.0723561 -1.0678198
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.43885856071379
variable y0 equal ${yi}
variable y0 equal 5.558475553443
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.49106645980742
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.52063305323319
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
525 -2.9871562 -1.0723561 -1.0678198
526 -2.9871562 -1.0723561 -1.0502957
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.43885856071379
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.558475553443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.69588495691252
variable y0 equal ${yi}
variable y0 equal 4.61304315680429
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.67914612645074
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
526 -2.9871562 -1.0723561 -1.0502957
527 -2.9871562 -1.0723561 -1.0885874
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.08858738769647
variable naccept equal ${increment}
variable naccept equal 192
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.0944710194955
variable y0 equal ${yi}
variable y0 equal 4.65609761828349
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.0131996929536
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.75257790440486
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
527 -2.9871562 -1.0885874 -1.0885874
528 -2.9871562 -1.0885874 -1.0638265
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.0944710194955
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.65609761828349
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.96917489726535
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.94184854003289
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
528 -2.9871562 -1.0885874 -1.0638265
529 -2.9871562 -1.0885874 -0.90647361
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.85332814427712
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.23131274381543
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.5164034875896
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
529 -2.9871562 -1.0885874 -0.90647361
530 -2.9871562 -1.0885874 -0.86951856
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.89277292449466
variable y0 equal ${yi}
variable y0 equal 0.861734314668505
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.92459598739139
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.868917449224322
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
530 -2.9871562 -1.0885874 -0.86951856
531 -2.9871562 -1.0885874 -1.0822055
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2380.7% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.89277292449466
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.861734314668505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.35647287765409
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0709162235259985
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
531 -2.9871562 -1.0885874 -1.0822055
532 -2.9871562 -1.0885874 -1.0567824
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 0.887986353236964
variable y0 equal ${yi}
variable y0 equal 9.30461881864398
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 0.926390245754054
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.23904097783893
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
532 -2.9871562 -1.0885874 -1.0567824
533 -2.9871562 -1.0885874 -1.1357873
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.13578732430946
variable naccept equal ${increment}
variable naccept equal 193
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.84334465781337
variable y0 equal ${yi}
variable y0 equal 6.64102999702921
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.80639883795863
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.64886432425013
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
533 -2.9871562 -1.1357873 -1.1357873
534 -2.9871562 -1.1357873 -1.1603418
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.16034183744779
variable naccept equal ${increment}
variable naccept equal 194
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.14132251460106
variable y0 equal ${yi}
variable y0 equal 4.91687022799417
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.07356384713203
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.91288957947656
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
534 -2.9871562 -1.1603418 -1.1603418
535 -2.9871562 -1.1603418 -1.1542354
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.14132251460106
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.91687022799417
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.83310471732608
variable y0 equal ${yi}
variable y0 equal 8.3484317771345
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.78838685710422
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.40297114767131
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
535 -2.9871562 -1.1603418 -1.1542354
536 -2.9871562 -1.1603418 -1.1560379
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.83310471732608
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.3484317771345
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.70367804964019
variable y0 equal ${yi}
variable y0 equal 0.934533329713668
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.6697051664157
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.985170360315169
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
536 -2.9871562 -1.1603418 -1.1560379
537 -2.9871562 -1.1603418 -1.1655055
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.1655054836766
variable naccept equal ${increment}
variable naccept equal 195
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.1440482588485
variable y0 equal ${yi}
variable y0 equal 8.36340260423716
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.16308992821724
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.28462620891627
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
537 -2.9871562 -1.1655055 -1.1655055
538 -2.9871562 -1.1655055 -1.171623
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.17162303161698
variable naccept equal ${increment}
variable naccept equal 196
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.39214122374269
variable y0 equal ${yi}
variable y0 equal 7.32321853962206
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.32937240679475
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.25091127481722
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
538 -2.9871562 -1.171623 -1.171623
539 -2.9871562 -1.171623 -0.84968246
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.39214122374269
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.32321853962206
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.26238644519711
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.56174433555865
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
539 -2.9871562 -1.171623 -0.84968246
540 -2.9871562 -1.171623 -0.9574977
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.6194513638668
variable y0 equal ${yi}
variable y0 equal 5.51495547239976
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.5860912402325
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.57869628613191
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
540 -2.9871562 -1.171623 -0.9574977
541 -2.9871562 -1.171623 -1.0278727
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 10.6194513638668
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.51495547239976
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.37933925469132
variable y0 equal ${yi}
variable y0 equal 5.58286277001101
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.3256844647667
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.58211661522585
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
541 -2.9871562 -1.171623 -1.0278727
542 -2.9871562 -1.171623 -1.1696314
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.37933925469132
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.58286277001101
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.17658477782765
variable y0 equal ${yi}
variable y0 equal 3.80986476702821
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.25292225837269
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.7410068945421
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
542 -2.9871562 -1.171623 -1.1696314
543 -2.9871562 -1.171623 -1.1846356
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.18463562648629
variable naccept equal ${increment}
variable naccept equal 197
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.670342476764585
variable y0 equal ${yi}
variable y0 equal 6.59568084017267
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.576297290721799
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.5338054491662
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
543 -2.9871562 -1.1846356 -1.1846356
544 -2.9871562 -1.1846356 -1.1389109
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.670342476764585
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.59568084017267
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.19226642608205
variable y0 equal ${yi}
variable y0 equal 1.99900682351654
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.13793087958852
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.96995517394607
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
544 -2.9871562 -1.1846356 -1.1389109
545 -2.9871562 -1.1846356 -1.1728923
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.19226642608205
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.99900682351654
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.14124523719006
variable y0 equal ${yi}
variable y0 equal 7.51275172558093
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.14655829985791
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.47608772840762
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
545 -2.9871562 -1.1846356 -1.1728923
546 -2.9871562 -1.1846356 -1.1882644
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.18826444924548
variable naccept equal ${increment}
variable naccept equal 198
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.79539506910918
variable y0 equal ${yi}
variable y0 equal 7.31491797294879
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.83479673145888
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.36937834348941
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
546 -2.9871562 -1.1882644 -1.1882644
547 -2.9871562 -1.1882644 -1.1612136
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.79539506910918
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.31491797294879
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.43885856071379
variable y0 equal ${yi}
variable y0 equal 5.558475553443
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.38540015617277
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.61200227682786
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
547 -2.9871562 -1.1882644 -1.1612136
548 -2.9871562 -1.1882644 -1.179579
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.43885856071379
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.558475553443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.05503968318158
variable y0 equal ${yi}
variable y0 equal 3.70494679970873
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.05746106227094
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.70282073779238
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
548 -2.9871562 -1.1882644 -1.179579
549 -2.9871562 -1.1882644 -1.1878594
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.05503968318158
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.70494679970873
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.63165215411608
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.4836135896709
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
549 -2.9871562 -1.1882644 -1.1878594
550 -2.9871562 -1.1882644 -1.1533465
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.45611415305997
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.81623291535508
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
550 -2.9871562 -1.1882644 -1.1533465
551 -2.9871562 -1.1882644 -1.0631308
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.25381002505036
variable y0 equal ${yi}
variable y0 equal 3.80343433184755
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.29856565077515
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.75675644440782
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
551 -2.9871562 -1.1882644 -1.0631308
552 -2.9871562 -1.1882644 -1.2537413
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.25374129016093
variable naccept equal ${increment}
variable naccept equal 199
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 74
variable x0 equal ${xi}
variable x0 equal 7.1464075712268
variable y0 equal ${yi}
variable y0 equal 6.56554357544413
set atom $i x ${xnew}
set atom 74 x ${xnew}
set atom 74 x 7.19690846481964
1 settings made for x
set atom $i y ${ynew}
set atom 74 y ${ynew}
set atom 74 y 6.5210548831605
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
552 -2.9871562 -1.2537413 -1.2537413
553 -2.9871562 -1.2537413 -1.2257889
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 74 x ${x0}
set atom 74 x 7.1464075712268
1 settings made for x
set atom $i y ${y0}
set atom 74 y ${y0}
set atom 74 y 6.56554357544413
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.95588066298515
variable y0 equal ${yi}
variable y0 equal 0.958170147645798
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.86607733685524
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.979833896863785
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
553 -2.9871562 -1.2537413 -1.2257889
554 -2.9871562 -1.2537413 -1.2007187
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.95588066298515
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.958170147645798
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.25292225837269
variable y0 equal ${yi}
variable y0 equal 3.7410068945421
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.28529538869419
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.75018524689806
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
554 -2.9871562 -1.2537413 -1.2007187
555 -2.9871562 -1.2537413 -1.2401067
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.25292225837269
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.7410068945421
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.69907911896487
variable y0 equal ${yi}
variable y0 equal 6.46656938330165
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.70111999392291
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.45056509510509
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
555 -2.9871562 -1.2537413 -1.2401067
556 -2.9871562 -1.2537413 -1.2528973
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.25289727552546
variable naccept equal ${increment}
variable naccept equal 200
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80639883795863
variable y0 equal ${yi}
variable y0 equal 6.64886432425013
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.86946899214869
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.6192339970254
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
556 -2.9871562 -1.2528973 -1.2528973
557 -2.9871562 -1.2528973 -1.2342341
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.80639883795863
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.64886432425013
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.50696252742235
variable y0 equal ${yi}
variable y0 equal 5.69319788162904
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.52077838340227
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.77947589104371
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
557 -2.9871562 -1.2528973 -1.2342341
558 -2.9871562 -1.2528973 -1.1743537
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.50696252742235
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.69319788162904
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.31983832835275
variable y0 equal ${yi}
variable y0 equal 9.28122769105762
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.24646600007135
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 9.29231714713901
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
558 -2.9871562 -1.2528973 -1.1743537
559 -2.9871562 -1.2528973 -1.1973995
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.31983832835275
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 9.28122769105762
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 0.0538676500320435
variable y0 equal ${yi}
variable y0 equal 1.89676245830125
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x -0.00926936864852902
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.95804303071565
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
559 -2.9871562 -1.2528973 -1.1973995
560 -2.9871562 -1.2528973 -1.244401
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 0.0538676500320435
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.89676245830125
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.15963261762963
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.49809441890979
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
560 -2.9871562 -1.2528973 -1.244401
561 -2.9871562 -1.2528973 -1.2490862
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.64777944286299
variable y0 equal ${yi}
variable y0 equal 2.8657853600631
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.66067210634184
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.84075683328011
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
561 -2.9871562 -1.2528973 -1.2490862
562 -2.9871562 -1.2528973 -1.2550377
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.25503765055882
variable naccept equal ${increment}
variable naccept equal 201
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.49241850216161
variable y0 equal ${yi}
variable y0 equal 3.62302048964632
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.53355492193471
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.57107198996675
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
562 -2.9871562 -1.2550377 -1.2550377
563 -2.9871562 -1.2550377 -1.2016104
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.49241850216161
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.62302048964632
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 0.0538676500320435
variable y0 equal ${yi}
variable y0 equal 1.89676245830125
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 0.095151686668396
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.81934415481156
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
563 -2.9871562 -1.2550377 -1.2016104
564 -2.9871562 -1.2550377 -1.2469243
Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 0.0538676500320435
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.89676245830125
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.75239680647192
variable y0 equal ${yi}
variable y0 equal 8.22711012281474
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.7991147720748
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.1301974765211
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
564 -2.9871562 -1.2550377 -1.2469243
565 -2.9871562 -1.2550377 -0.96349111
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.75239680647192
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.22711012281474
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.16308992821724
variable y0 equal ${yi}
variable y0 equal 8.28462620891627
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.12704094368965
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.33986731685694
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
565 -2.9871562 -1.2550377 -0.96349111
566 -2.9871562 -1.2550377 -1.2499595
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 98 x ${x0}
set atom 98 x 9.16308992821724
1 settings made for x
set atom $i y ${y0}
set atom 98 y ${y0}
set atom 98 y 8.28462620891627
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.2262481812498
variable y0 equal ${yi}
variable y0 equal 2.83032892915109
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1877183679602
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.75864233943323
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
566 -2.9871562 -1.2550377 -1.2499595
567 -2.9871562 -1.2550377 -1.2548292
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.2262481812498
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.83032892915109
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.9486086213523
variable y0 equal ${yi}
variable y0 equal 6.50839406982889
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.87151443599998
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.51532517210474
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
567 -2.9871562 -1.2550377 -1.2548292
568 -2.9871562 -1.2550377 -1.2376372
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.9486086213523
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.50839406982889
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54351456640837
variable y0 equal ${yi}
variable y0 equal 3.68936000628603
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.57312260149595
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.59592626853121
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
568 -2.9871562 -1.2550377 -1.2376372
569 -2.9871562 -1.2550377 -1.2397305
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.54351456640837
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.68936000628603
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.89360781310894
variable y0 equal ${yi}
variable y0 equal 0.970815511453479
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.85064032672741
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.992341895807117
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
569 -2.9871562 -1.2550377 -1.2397305
570 -2.9871562 -1.2550377 -1.2408238
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.89360781310894
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.970815511453479
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.74200649777537
variable y0 equal ${yi}
variable y0 equal 8.32967373050746
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.81409508505946
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.41906071819362
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
570 -2.9871562 -1.2550377 -1.2408238
571 -2.9871562 -1.2550377 -1.2626915
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.26269149152748
variable naccept equal ${increment}
variable naccept equal 202
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.49241850216161
variable y0 equal ${yi}
variable y0 equal 3.62302048964632
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.55629055340062
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.57657450003756
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
571 -2.9871562 -1.2626915 -1.2626915
572 -2.9871562 -1.2626915 -1.1697816
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.49241850216161
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.62302048964632
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.636496813693905
variable y0 equal ${yi}
variable y0 equal 2.67731568786004
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.668525441089535
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.65698702308038
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
572 -2.9871562 -1.2626915 -1.1697816
573 -2.9871562 -1.2626915 -1.2342241
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.636496813693905
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.67731568786004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.8117458124919
variable y0 equal ${yi}
variable y0 equal 8.46798524774608
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.80131718118621
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.54258154548702
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
573 -2.9871562 -1.2626915 -1.2342241
574 -2.9871562 -1.2626915 -1.1819906
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.8117458124919
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.46798524774608
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.6895772715373
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.71277494782373
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
574 -2.9871562 -1.2626915 -1.1819906
575 -2.9871562 -1.2626915 -1.2464354
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.83226965864134
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.6243641650097
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
575 -2.9871562 -1.2626915 -1.2464354
576 -2.9871562 -1.2626915 -1.2348488
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.19670169114628
variable y0 equal ${yi}
variable y0 equal 7.45894124832415
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.25831706285038
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.46091093149447
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
576 -2.9871562 -1.2626915 -1.2348488
577 -2.9871562 -1.2626915 -1.2605495
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.19670169114628
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.45894124832415
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.25292225837269
variable y0 equal ${yi}
variable y0 equal 3.7410068945421
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.73567457957399
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
577 -2.9871562 -1.2626915 -1.2605495
578 -2.9871562 -1.2626915 -1.2654105
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.2654105168996
variable naccept equal ${increment}
variable naccept equal 203
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.7421086748295
variable y0 equal ${yi}
variable y0 equal 0.0381360530853272
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.6441186865025
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y -0.0446481108665466
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
578 -2.9871562 -1.2654105 -1.2654105
579 -2.9871562 -1.2654105 -1.329935
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.32993497581692
variable naccept equal ${increment}
variable naccept equal 204
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.38658518313486
variable y0 equal ${yi}
variable y0 equal 7.46601674881243
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.39550770043451
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.38732918825411
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
579 -2.9871562 -1.329935 -1.329935
580 -2.9871562 -1.329935 -1.2619596
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.38658518313486
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.46601674881243
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.50696252742235
variable y0 equal ${yi}
variable y0 equal 5.69319788162904
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.43240578332369
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.72700328772264
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
580 -2.9871562 -1.329935 -1.2619596
581 -2.9871562 -1.329935 -1.2729951
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.50696252742235
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.69319788162904
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.419449497847
variable y0 equal ${yi}
variable y0 equal 3.62166059775483
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.49239535489503
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.71645880503785
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
581 -2.9871562 -1.329935 -1.2729951
582 -2.9871562 -1.329935 -1.3581576
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.35815762308786
variable naccept equal ${increment}
variable naccept equal 205
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1610254410764
variable y0 equal ${yi}
variable y0 equal 8.2609955064207
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1694799665471
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.22209194816646
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
582 -2.9871562 -1.3581576 -1.3581576
583 -2.9871562 -1.3581576 -1.3477163
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.1610254410764
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.2609955064207
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0322040319442937
variable y0 equal ${yi}
variable y0 equal 7.38692112293505
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 0.0298782348633
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.42559107866549
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
583 -2.9871562 -1.3581576 -1.3477163
584 -2.9871562 -1.3581576 -1.3522015
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.38692112293505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.15834543148385
variable y0 equal ${yi}
variable y0 equal 1.95142827413148
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.13842718044625
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.85985663316316
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
584 -2.9871562 -1.3581576 -1.3522015
585 -2.9871562 -1.3581576 -1.3558187
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.15834543148385
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.95142827413148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.24745409885312
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.41848703947329
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
585 -2.9871562 -1.3581576 -1.3558187
586 -2.9871562 -1.3581576 -1.2531733
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 1.93844582477913
variable y0 equal ${yi}
variable y0 equal 9.28443172681659
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 1.99748616854057
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.28337218273013
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
586 -2.9871562 -1.3581576 -1.2531733
587 -2.9871562 -1.3581576 -1.3795275
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.37952748168855
variable naccept equal ${increment}
variable naccept equal 206
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.42834627150613
variable y0 equal ${yi}
variable y0 equal 5.4691439980765
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.52578634738046
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.47681858484942
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
587 -2.9871562 -1.3795275 -1.3795275
588 -2.9871562 -1.3795275 -1.3430632
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.42834627150613
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.4691439980765
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.37933925469132
variable y0 equal ${yi}
variable y0 equal 5.58286277001101
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.37270225365372
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.5350309247275
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
588 -2.9871562 -1.3795275 -1.3430632
589 -2.9871562 -1.3795275 -1.3805006
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.38050057431537
variable naccept equal ${increment}
variable naccept equal 207
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.83482123255073
variable y0 equal ${yi}
variable y0 equal 2.90886334153512
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.85868977280953
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
589 -2.9871562 -1.3805006 -1.3805006
590 -2.9871562 -1.3805006 -1.3816553
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.38165527696185
variable naccept equal ${increment}
variable naccept equal 208
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.43141517479192
variable y0 equal ${yi}
variable y0 equal 5.56478210632998
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.40136385996114
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.62311518137652
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
590 -2.9871562 -1.3816553 -1.3816553
591 -2.9871562 -1.3816553 -1.3625154
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 75 x ${x0}
set atom 75 x 7.43141517479192
1 settings made for x
set atom $i y ${y0}
set atom 75 y ${y0}
set atom 75 y 5.56478210632998
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.44271840571481
variable y0 equal ${yi}
variable y0 equal 3.64753458066117
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.50014636038858
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.73485736413132
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
591 -2.9871562 -1.3816553 -1.3625154
592 -2.9871562 -1.3816553 -1.3831312
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.38313121598977
variable naccept equal ${increment}
variable naccept equal 209
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.3012590146021
variable y0 equal ${yi}
variable y0 equal 5.54728171770769
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.39509936332265
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.57799570505815
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
592 -2.9871562 -1.3831312 -1.3831312
593 -2.9871562 -1.3831312 -1.3723506
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.3012590146021
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.54728171770769
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.34202759662534
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y -0.0192600131034876
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
593 -2.9871562 -1.3831312 -1.3723506
594 -2.9871562 -1.3831312 -1.3807315
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.31983832835275
variable y0 equal ${yi}
variable y0 equal 9.28122769105762
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.36090334176141
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 9.36127550113529
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
594 -2.9871562 -1.3831312 -1.3807315
595 -2.9871562 -1.3831312 -1.36366
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.31983832835275
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 9.28122769105762
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 7.0883078245227
variable y0 equal ${yi}
variable y0 equal 8.34910107769069
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.18029399195358
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.40897090353069
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
595 -2.9871562 -1.3831312 -1.36366
596 -2.9871562 -1.3831312 -1.3483502
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 7.0883078245227
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.34910107769069
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 1.99748616854057
variable y0 equal ${yi}
variable y0 equal 9.28337218273013
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.01127850452766
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.27465030658572
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
596 -2.9871562 -1.3831312 -1.3483502
597 -2.9871562 -1.3831312 -1.3850537
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.38505367883356
variable naccept equal ${increment}
variable naccept equal 210
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.15155310948544
variable y0 equal ${yi}
variable y0 equal 1.8275491871602
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.23193701823407
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.89866228482789
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
597 -2.9871562 -1.3850537 -1.3850537
598 -2.9871562 -1.3850537 -1.3473948
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.15155310948544
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.8275491871602
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.95588066298515
variable y0 equal ${yi}
variable y0 equal 0.958170147645798
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.91207848507911
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 1.00596296380791
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
598 -2.9871562 -1.3850537 -1.3473948
599 -2.9871562 -1.3850537 -1.3326117
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.95588066298515
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.958170147645798
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.1799755902961
variable y0 equal ${yi}
variable y0 equal 6.56346605555049
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.23172874171288
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.56647083298198
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
599 -2.9871562 -1.3850537 -1.3326117
600 -2.9871562 -1.3850537 -1.3674685
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.1799755902961
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.56346605555049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.05527156868621
variable y0 equal ${yi}
variable y0 equal 4.53311400765344
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 6.96265421190902
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.54610840433999
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
600 -2.9871562 -1.3850537 -1.3674685
601 -2.9871562 -1.3850537 -1.3314972
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.05527156868621
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.53311400765344
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.49239535489503
variable y0 equal ${yi}
variable y0 equal 3.71645880503785
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.4058857814354
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.74886415763032
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
601 -2.9871562 -1.3850537 -1.3314972
602 -2.9871562 -1.3850537 -1.3256792
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.49239535489503
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.71645880503785
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31064851680662
variable y0 equal ${yi}
variable y0 equal 1.91864991567201
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.29727901616957
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.88125138661928
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
602 -2.9871562 -1.3850537 -1.3256792
603 -2.9871562 -1.3850537 -1.3764088
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31064851680662
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.91864991567201
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.6441186865025
variable y0 equal ${yi}
variable y0 equal -0.0446481108665466
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.6847808917218
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 0.0503261208534241
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
603 -2.9871562 -1.3850537 -1.3764088
604 -2.9871562 -1.3850537 -1.3057418
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.6441186865025
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y -0.0446481108665466
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.49239535489503
variable y0 equal ${yi}
variable y0 equal 3.71645880503785
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.58295833030168
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.68115541501176
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
604 -2.9871562 -1.3850537 -1.3057418
605 -2.9871562 -1.3850537 -1.3784599
Loop time of 8.58307e-05 on 1 procs for 1 steps with 100 atoms
1165.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.49239535489503
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.71645880503785
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.80888134757167
variable y0 equal ${yi}
variable y0 equal 2.87047326537469
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.81428678551799
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.78096287223199
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
605 -2.9871562 -1.3850537 -1.3784599
606 -2.9871562 -1.3850537 -1.3839863
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.80888134757167
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.87047326537469
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.95588066298515
variable y0 equal ${yi}
variable y0 equal 0.958170147645798
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 9.04897592980415
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.963812907445755
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
606 -2.9871562 -1.3850537 -1.3839863
607 -2.9871562 -1.3850537 -1.3757286
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.95588066298515
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.958170147645798
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.19226642608205
variable y0 equal ${yi}
variable y0 equal 1.99900682351654
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.19158099650899
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 2.0968829073674
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
607 -2.9871562 -1.3850537 -1.3757286
608 -2.9871562 -1.3850537 -1.329932
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.19226642608205
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.99900682351654
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.609000296989348
variable y0 equal ${yi}
variable y0 equal 0.984621043908919
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.661875839630034
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.953116424787367
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
608 -2.9871562 -1.3850537 -1.329932
609 -2.9871562 -1.3850537 -1.374074
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.609000296989348
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.984621043908919
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.6697051664157
variable y0 equal ${yi}
variable y0 equal 0.985170360315169
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.74688103397323
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 1.00073587487968
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
609 -2.9871562 -1.3850537 -1.374074
610 -2.9871562 -1.3850537 -1.3687956
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.6697051664157
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.985170360315169
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.50014636038858
variable y0 equal ${yi}
variable y0 equal 3.73485736413132
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.44109354733545
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.77544760270249
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
610 -2.9871562 -1.3850537 -1.3687956
611 -2.9871562 -1.3850537 -1.291347
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.50014636038858
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.73485736413132
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.79853938141947
variable y0 equal ${yi}
variable y0 equal 4.56348908299372
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.7123203686822
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.54204444044993
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
611 -2.9871562 -1.3850537 -1.291347
612 -2.9871562 -1.3850537 -1.3520084
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.79853938141947
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.56348908299372
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.62032703041811
variable y0 equal ${yi}
variable y0 equal 0.920044656503527
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.63596331953783
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 1.00232377837929
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
612 -2.9871562 -1.3850537 -1.3520084
613 -2.9871562 -1.3850537 -1.3682658
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.62032703041811
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.920044656503527
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.6441186865025
variable y0 equal ${yi}
variable y0 equal 9.26140048015445
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.6749607046299
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.28974660146564
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
613 -2.9871562 -1.3850537 -1.3682658
614 -2.9871562 -1.3850537 -1.3705218
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.6441186865025
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.26140048015445
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.16361460129128
variable y0 equal ${yi}
variable y0 equal 3.71165227456224
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.20289023558007
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.77375853819978
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
614 -2.9871562 -1.3850537 -1.3705218
615 -2.9871562 -1.3850537 -1.3811222
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.16361460129128
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.71165227456224
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.14132251460106
variable y0 equal ${yi}
variable y0 equal 4.91687022799417
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.12524742800743
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 5.00506101006433
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
615 -2.9871562 -1.3850537 -1.3811222
616 -2.9871562 -1.3850537 -1.3105706
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.14132251460106
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.91687022799417
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.467086871066953
variable y0 equal ${yi}
variable y0 equal 8.28344582237299
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.495169158378507
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.19806424297388
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
616 -2.9871562 -1.3850537 -1.3105706
617 -2.9871562 -1.3850537 -1.3414633
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.467086871066953
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.28344582237299
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.71175088165876
variable y0 equal ${yi}
variable y0 equal 5.71374509279924
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.65862675188657
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.65731769745546
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
617 -2.9871562 -1.3850537 -1.3414633
618 -2.9871562 -1.3850537 -1.3676177
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.71175088165876
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.71374509279924
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.9486086213523
variable y0 equal ${yi}
variable y0 equal 6.50839406982889
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.93977924227057
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.55731870666971
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
618 -2.9871562 -1.3850537 -1.3676177
619 -2.9871562 -1.3850537 -1.3562614
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.9486086213523
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.50839406982889
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.62032703041811
variable y0 equal ${yi}
variable y0 equal 0.920044656503527
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.61625435232897
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.9234049756411
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
619 -2.9871562 -1.3850537 -1.3562614
620 -2.9871562 -1.3850537 -1.3843346
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.62032703041811
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.920044656503527
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.62032703041811
variable y0 equal ${yi}
variable y0 equal 0.920044656503527
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.69268700957079
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 1.00773170779976
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
620 -2.9871562 -1.3850537 -1.3843346
621 -2.9871562 -1.3850537 -1.3680031
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.62032703041811
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.920044656503527
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.80785045265495
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.86851253482201
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
621 -2.9871562 -1.3850537 -1.3680031
622 -2.9871562 -1.3850537 -1.3840955
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.85868977280953
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.467086871066953
variable y0 equal ${yi}
variable y0 equal 8.28344582237299
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.44764589826193
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.32563534893091
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
622 -2.9871562 -1.3850537 -1.3840955
623 -2.9871562 -1.3850537 -1.3872811
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.38728108349954
variable naccept equal ${increment}
variable naccept equal 211
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 6.03489085395328
variable y0 equal ${yi}
variable y0 equal 4.55223173254892
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.9899615760564
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.5907792245762
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
623 -2.9871562 -1.3872811 -1.3872811
624 -2.9871562 -1.3872811 -1.4127818
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.41278180893224
variable naccept equal ${increment}
variable naccept equal 212
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.99147927402794
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.85271881791451
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
624 -2.9871562 -1.4127818 -1.4127818
625 -2.9871562 -1.4127818 -1.343882
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.85868977280953
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.95588066298515
variable y0 equal ${yi}
variable y0 equal 0.958170147645798
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 9.00074370820076
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.970562859285202
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
625 -2.9871562 -1.4127818 -1.343882
626 -2.9871562 -1.4127818 -1.4088029
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.95588066298515
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.958170147645798
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.65137007117053
variable y0 equal ${yi}
variable y0 equal 4.58490908497735
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.65167639136096
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.64821097010537
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
626 -2.9871562 -1.4127818 -1.4088029
627 -2.9871562 -1.4127818 -1.4171293
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.41712932007563
variable naccept equal ${increment}
variable naccept equal 213
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54351456640837
variable y0 equal ${yi}
variable y0 equal 3.68936000628603
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.52418797491667
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.67949695153368
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
627 -2.9871562 -1.4171293 -1.4171293
628 -2.9871562 -1.4171293 -1.4158179
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.54351456640837
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.68936000628603
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.50696252742235
variable y0 equal ${yi}
variable y0 equal 5.69319788162904
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.50189744391863
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.62625844423967
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
628 -2.9871562 -1.4171293 -1.4158179
629 -2.9871562 -1.4171293 -1.4175466
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.41754664501398
variable naccept equal ${increment}
variable naccept equal 214
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.83310471732608
variable y0 equal ${yi}
variable y0 equal 8.3484317771345
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.76399728019229
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.28182130970057
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
629 -2.9871562 -1.4175466 -1.4175466
630 -2.9871562 -1.4175466 -1.3724141
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.83310471732608
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.3484317771345
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.95269535421668
variable y0 equal ${yi}
variable y0 equal 4.50253551358148
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.93783021807014
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.47542828673288
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
630 -2.9871562 -1.4175466 -1.3724141
631 -2.9871562 -1.4175466 -1.3978291
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.95269535421668
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.50253551358148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.92728100974551
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.81102399798729
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
631 -2.9871562 -1.4175466 -1.3978291
632 -2.9871562 -1.4175466 -1.390464
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.85332814427712
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.39499159891379
variable y0 equal ${yi}
variable y0 equal 1.92000625512666
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.31234352428687
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.89091948649949
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
632 -2.9871562 -1.4175466 -1.390464
633 -2.9871562 -1.4175466 -1.4261792
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.42617915925012
variable naccept equal ${increment}
variable naccept equal 215
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.43885856071379
variable y0 equal ${yi}
variable y0 equal 5.558475553443
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.48234918514158
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.5516745681067
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
633 -2.9871562 -1.4261792 -1.4261792
634 -2.9871562 -1.4261792 -1.409773
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.43885856071379
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.558475553443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.6441186865025
variable y0 equal ${yi}
variable y0 equal 9.26140048015445
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.648263963049
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.2079006861481
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
634 -2.9871562 -1.4261792 -1.409773
635 -2.9871562 -1.4261792 -1.435484
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.4354839986223
variable naccept equal ${increment}
variable naccept equal 216
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.55511315026705
variable y0 equal ${yi}
variable y0 equal 9.1494782041344
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.61520300069277
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.09114980209201
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
635 -2.9871562 -1.435484 -1.435484
636 -2.9871562 -1.435484 -1.3869192
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.55511315026705
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.1494782041344
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.18878640571939
variable y0 equal ${yi}
variable y0 equal 5.5354710811873
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.24505562225687
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.45345857088762
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
636 -2.9871562 -1.435484 -1.3869192
637 -2.9871562 -1.435484 -1.3820555
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.18878640571939
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5354710811873
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.89360781310894
variable y0 equal ${yi}
variable y0 equal 0.970815511453479
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.83856721519329
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 1.05606873821053
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
637 -2.9871562 -1.435484 -1.3820555
638 -2.9871562 -1.435484 -1.4041169
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.89360781310894
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.970815511453479
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.86377175688087
variable y0 equal ${yi}
variable y0 equal 0.979123874414294
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.93898677467643
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.922879894483416
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
638 -2.9871562 -1.435484 -1.4041169
639 -2.9871562 -1.435484 -1.4047063
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.86377175688087
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.979123874414294
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.42834627150613
variable y0 equal ${yi}
variable y0 equal 5.4691439980765
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.37511158703881
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.55292977040011
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
639 -2.9871562 -1.435484 -1.4047063
640 -2.9871562 -1.435484 -1.4270103
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.42834627150613
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.4691439980765
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.48253180264112
variable y0 equal ${yi}
variable y0 equal 1.83061694285935
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.44324071882841
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.81839132688111
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
640 -2.9871562 -1.435484 -1.4270103
641 -2.9871562 -1.435484 -1.4081823
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.48253180264112
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.83061694285935
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.29856565077515
variable y0 equal ${yi}
variable y0 equal 3.75675644440782
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.23712824661942
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.7975365237726
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
641 -2.9871562 -1.435484 -1.4081823
642 -2.9871562 -1.435484 -1.3559627
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.29856565077515
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.75675644440782
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.44501340229284
variable y0 equal ${yi}
variable y0 equal 0.0728780150413514
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.42581077654135
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.00200206041336068
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
642 -2.9871562 -1.435484 -1.3559627
643 -2.9871562 -1.435484 -1.4378058
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.43780579475459
variable naccept equal ${increment}
variable naccept equal 217
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.6194513638668
variable y0 equal ${yi}
variable y0 equal 5.51495547239976
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.6798384984188
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.47642980759339
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
643 -2.9871562 -1.4378058 -1.4378058
644 -2.9871562 -1.4378058 -1.4836523
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.48365228837593
variable naccept equal ${increment}
variable naccept equal 218
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.16361460129128
variable y0 equal ${yi}
variable y0 equal 3.71165227456224
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.77270575328004
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
644 -2.9871562 -1.4836523 -1.4836523
645 -2.9871562 -1.4836523 -1.4861225
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.48612248111829
variable naccept equal ${increment}
variable naccept equal 219
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.95588066298515
variable y0 equal ${yi}
variable y0 equal 0.958170147645798
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.86414540726692
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 1.04625742028984
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
645 -2.9871562 -1.4861225 -1.4861225
646 -2.9871562 -1.4861225 -1.2962603
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.95588066298515
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.958170147645798
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.80888134757167
variable y0 equal ${yi}
variable y0 equal 2.87047326537469
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.871384983455
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.95588707896569
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
646 -2.9871562 -1.4861225 -1.2962603
647 -2.9871562 -1.4861225 -1.4163758
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.80888134757167
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.87047326537469
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.14132251460106
variable y0 equal ${yi}
variable y0 equal 4.91687022799417
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.22162594515831
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.96126422041818
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
647 -2.9871562 -1.4861225 -1.4163758
648 -2.9871562 -1.4861225 -1.4222101
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.14132251460106
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.91687022799417
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.13396360594779
variable y0 equal ${yi}
variable y0 equal 2.69964367123941
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.18394357878715
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.67225230904916
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
648 -2.9871562 -1.4861225 -1.4222101
649 -2.9871562 -1.4861225 -1.4345983
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.13396360594779
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.69964367123941
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.43885856071379
variable y0 equal ${yi}
variable y0 equal 5.558475553443
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.34778758684065
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.48445597832398
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
649 -2.9871562 -1.4861225 -1.4345983
650 -2.9871562 -1.4861225 -1.4784945
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.43885856071379
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.558475553443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.609000296989348
variable y0 equal ${yi}
variable y0 equal 0.984621043908919
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.599176199832823
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 1.06154056381019
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
650 -2.9871562 -1.4861225 -1.4784945
651 -2.9871562 -1.4861225 -1.4548009
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.609000296989348
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.984621043908919
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.6697051664157
variable y0 equal ${yi}
variable y0 equal 0.985170360315169
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.73118131359054
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.95709611963066
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
651 -2.9871562 -1.4861225 -1.4548009
652 -2.9871562 -1.4861225 -1.4757477
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.6697051664157
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.985170360315169
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.29856565077515
variable y0 equal ${yi}
variable y0 equal 3.75675644440782
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.29979468662949
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.68506254716051
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
652 -2.9871562 -1.4861225 -1.4757477
653 -2.9871562 -1.4861225 -1.4910279
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.49102789094257
variable naccept equal ${increment}
variable naccept equal 220
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.89360781310894
variable y0 equal ${yi}
variable y0 equal 0.970815511453479
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.84936464427807
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.952607961404651
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
653 -2.9871562 -1.4910279 -1.4910279
654 -2.9871562 -1.4910279 -1.4806387
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.89360781310894
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.970815511453479
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.81409508505946
variable y0 equal ${yi}
variable y0 equal 8.41906071819362
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.90877110282069
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.49039127744731
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
654 -2.9871562 -1.4910279 -1.4806387
655 -2.9871562 -1.4910279 -1.3776989
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.81409508505946
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.41906071819362
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.35305790105726
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y -0.06727149486542
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
655 -2.9871562 -1.4910279 -1.3776989
656 -2.9871562 -1.4910279 -1.4837914
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.736381598299
variable y0 equal ${yi}
variable y0 equal 3.75094525380266
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.8196943839245
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.67012049718035
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
656 -2.9871562 -1.4910279 -1.4837914
657 -2.9871562 -1.4910279 -1.4915712
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.49157124334998
variable naccept equal ${increment}
variable naccept equal 221
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.70111999392291
variable y0 equal ${yi}
variable y0 equal 6.45056509510509
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.75976018786212
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.53850911394588
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
657 -2.9871562 -1.4915712 -1.4915712
658 -2.9871562 -1.4915712 -1.4818599
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.70111999392291
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.45056509510509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.4949854779112
variable y0 equal ${yi}
variable y0 equal 0.0935324668884274
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.45617995737669
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.122891819477081
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
658 -2.9871562 -1.4915712 -1.4818599
659 -2.9871562 -1.4915712 -1.4624209
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.4949854779112
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0935324668884274
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.79539506910918
variable y0 equal ${yi}
variable y0 equal 7.31491797294879
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.84648401020644
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.3616387518909
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
659 -2.9871562 -1.4915712 -1.4624209
660 -2.9871562 -1.4915712 -1.4576597
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.79539506910918
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.31491797294879
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.66067210634184
variable y0 equal ${yi}
variable y0 equal 2.84075683328011
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.73504253824186
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.92310613366463
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
660 -2.9871562 -1.4915712 -1.4576597
661 -2.9871562 -1.4915712 -1.4755451
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.66067210634184
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.84075683328011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.18484719752828
variable y0 equal ${yi}
variable y0 equal 0.0215112447738743
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.27643877028982
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 0.075750613212595
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
661 -2.9871562 -1.4915712 -1.4755451
662 -2.9871562 -1.4915712 -1.520318
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.52031803392727
variable naccept equal ${increment}
variable naccept equal 222
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.58777606367846
variable y0 equal ${yi}
variable y0 equal 2.84301091405252
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.66249351382037
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.75859200927118
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
662 -2.9871562 -1.520318 -1.520318
663 -2.9871562 -1.520318 -1.5047297
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.58777606367846
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.84301091405252
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.44764589826193
variable y0 equal ${yi}
variable y0 equal 8.32563534893091
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.365077515045072
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.28618894733484
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
663 -2.9871562 -1.520318 -1.5047297
664 -2.9871562 -1.520318 -1.477278
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.44764589826193
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.32563534893091
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.0944710194955
variable y0 equal ${yi}
variable y0 equal 4.65609761828349
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.18000540136196
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.56114988678859
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
664 -2.9871562 -1.520318 -1.477278
665 -2.9871562 -1.520318 -1.4498987
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.0944710194955
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.65609761828349
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.50014636038858
variable y0 equal ${yi}
variable y0 equal 3.73485736413132
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.49823891638834
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.73309955163132
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
665 -2.9871562 -1.520318 -1.4498987
666 -2.9871562 -1.520318 -1.5211728
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.52117283696309
variable naccept equal ${increment}
variable naccept equal 223
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.95588066298515
variable y0 equal ${yi}
variable y0 equal 0.958170147645798
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.93586747366935
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.897689135778275
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
666 -2.9871562 -1.5211728 -1.5211728
667 -2.9871562 -1.5211728 -1.5292357
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.52923573959139
variable naccept equal ${increment}
variable naccept equal 224
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.37270225365372
variable y0 equal ${yi}
variable y0 equal 5.5350309247275
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.38908102591248
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.51644262020785
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
667 -2.9871562 -1.5292357 -1.5292357
668 -2.9871562 -1.5292357 -1.5285944
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.52859437392368
variable naccept equal ${increment}
variable naccept equal 225
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.8196943839245
variable y0 equal ${yi}
variable y0 equal 3.67012049718035
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.8444620211773
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.6413920835985
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
668 -2.9871562 -1.5285944 -1.5285944
669 -2.9871562 -1.5285944 -1.5190388
Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 10.8196943839245
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.67012049718035
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.11236243842937
variable y0 equal ${yi}
variable y0 equal 8.24853718198832
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.20931401847698
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.32984374679621
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
669 -2.9871562 -1.5285944 -1.5190388
670 -2.9871562 -1.5285944 -1.4393888
Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.11236243842937
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.24853718198832
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.648263963049
variable y0 equal ${yi}
variable y0 equal 9.2079006861481
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.6936472852879
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.25655743587344
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
670 -2.9871562 -1.5285944 -1.4393888
671 -2.9871562 -1.5285944 -1.5137636
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.648263963049
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.2079006861481
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.92757778127185
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.76324702473977
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
671 -2.9871562 -1.5285944 -1.5137636
672 -2.9871562 -1.5285944 -1.4285746
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.85332814427712
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.83310471732608
variable y0 equal ${yi}
variable y0 equal 8.3484317771345
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.7367061491727
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.37417242445048
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
672 -2.9871562 -1.5285944 -1.4285746
673 -2.9871562 -1.5285944 -1.511837
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.83310471732608
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.3484317771345
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.9486086213523
variable y0 equal ${yi}
variable y0 equal 6.50839406982889
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 5.03511389135657
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.4296056939744
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
673 -2.9871562 -1.5285944 -1.511837
674 -2.9871562 -1.5285944 -1.4998424
Loop time of 4.31538e-05 on 1 procs for 1 steps with 100 atoms
2317.3% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.9486086213523
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.50839406982889
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1148146752378
variable y0 equal ${yi}
variable y0 equal 4.54698911065027
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.0182748798391
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.47931827658579
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
674 -2.9871562 -1.5285944 -1.4998424
675 -2.9871562 -1.5285944 -1.4679747
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.1148146752378
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.54698911065027
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.29979468662949
variable y0 equal ${yi}
variable y0 equal 3.68506254716051
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.36545280297013
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.76343255801332
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
675 -2.9871562 -1.5285944 -1.4679747
676 -2.9871562 -1.5285944 -1.5234285
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.29979468662949
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.68506254716051
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.3580195311566
variable y0 equal ${yi}
variable y0 equal 0.876792534101337
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.3420591358204
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.919908591020435
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
676 -2.9871562 -1.5285944 -1.5234285
677 -2.9871562 -1.5285944 -1.5361048
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.53610478960888
variable naccept equal ${increment}
variable naccept equal 226
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.3420591358204
variable y0 equal ${yi}
variable y0 equal 0.919908591020435
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.302839982893
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.902523060548633
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
677 -2.9871562 -1.5361048 -1.5361048
678 -2.9871562 -1.5361048 -1.5428288
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.5428288223352
variable naccept equal ${increment}
variable naccept equal 227
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.670342476764585
variable y0 equal ${yi}
variable y0 equal 6.59568084017267
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.603585369983579
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.69126078621378
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
678 -2.9871562 -1.5428288 -1.5428288
679 -2.9871562 -1.5428288 -1.44476
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.670342476764585
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.59568084017267
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.29979468662949
variable y0 equal ${yi}
variable y0 equal 3.68506254716051
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.21123738367768
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.73444240851534
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
679 -2.9871562 -1.5428288 -1.44476
680 -2.9871562 -1.5428288 -1.4912699
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.29979468662949
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.68506254716051
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.21652406850721
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0204649209976171
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
680 -2.9871562 -1.5428288 -1.4912699
681 -2.9871562 -1.5428288 -1.4870226
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.80888134757167
variable y0 equal ${yi}
variable y0 equal 2.87047326537469
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.818137829696
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.87919037314752
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
681 -2.9871562 -1.5428288 -1.4870226
682 -2.9871562 -1.5428288 -1.5347825
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.80888134757167
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.87047326537469
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.2262481812498
variable y0 equal ${yi}
variable y0 equal 2.83032892915109
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.2974783424398
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.82333054515222
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
682 -2.9871562 -1.5428288 -1.5347825
683 -2.9871562 -1.5428288 -1.5336564
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.2262481812498
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.83032892915109
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.89360781310894
variable y0 equal ${yi}
variable y0 equal 0.970815511453479
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.84625568984844
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.990762694585651
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
683 -2.9871562 -1.5428288 -1.5336564
684 -2.9871562 -1.5428288 -1.5286969
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.89360781310894
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.970815511453479
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.81409508505946
variable y0 equal ${yi}
variable y0 equal 8.41906071819362
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.82981962481623
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.51831295408305
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
684 -2.9871562 -1.5428288 -1.5286969
685 -2.9871562 -1.5428288 -1.5092865
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.81409508505946
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.41906071819362
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.302839982893
variable y0 equal ${yi}
variable y0 equal 0.902523060548633
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.334790361311
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.97467588971886
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
685 -2.9871562 -1.5428288 -1.5092865
686 -2.9871562 -1.5428288 -1.5353222
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.302839982893
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.902523060548633
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 0.0538676500320435
variable y0 equal ${yi}
variable y0 equal 1.89676245830125
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 0.109127748012543
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.90195738456315
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
686 -2.9871562 -1.5428288 -1.5353222
687 -2.9871562 -1.5428288 -1.5180551
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 0.0538676500320435
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.89676245830125
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80639883795863
variable y0 equal ${yi}
variable y0 equal 6.64886432425013
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.85495240012294
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.60158496633997
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
687 -2.9871562 -1.5428288 -1.5180551
688 -2.9871562 -1.5428288 -1.5638068
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.56380679488604
variable naccept equal ${increment}
variable naccept equal 228
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.58777606367846
variable y0 equal ${yi}
variable y0 equal 2.84301091405252
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.66311051726122
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.84872870417932
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
688 -2.9871562 -1.5638068 -1.5638068
689 -2.9871562 -1.5638068 -1.5723919
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.57239188275382
variable naccept equal ${increment}
variable naccept equal 229
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.97641189375564
variable y0 equal ${yi}
variable y0 equal 2.79607654782632
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.96819095888778
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.85498608323434
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
689 -2.9871562 -1.5723919 -1.5723919
690 -2.9871562 -1.5723919 -1.5794222
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.57942219358855
variable naccept equal ${increment}
variable naccept equal 230
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.38658518313486
variable y0 equal ${yi}
variable y0 equal 7.46601674881243
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.38228197812159
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.37301745739245
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
690 -2.9871562 -1.5794222 -1.5794222
691 -2.9871562 -1.5794222 -1.4711197
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.38658518313486
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.46601674881243
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.6798384984188
variable y0 equal ${yi}
variable y0 equal 5.47642980759339
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.6911063273601
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.45732250158982
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
691 -2.9871562 -1.5794222 -1.4711197
692 -2.9871562 -1.5794222 -1.5795996
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.57959963399638
variable naccept equal ${increment}
variable naccept equal 231
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.62032703041811
variable y0 equal ${yi}
variable y0 equal 0.920044656503527
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.62696895479937
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.956307740915148
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
692 -2.9871562 -1.5795996 -1.5795996
693 -2.9871562 -1.5795996 -1.5762743
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.62032703041811
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.920044656503527
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.44764589826193
variable y0 equal ${yi}
variable y0 equal 8.32563534893091
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.476495249668027
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.23766961015756
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
693 -2.9871562 -1.5795996 -1.5762743
694 -2.9871562 -1.5795996 -1.5647187
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2436.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.44764589826193
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.32563534893091
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.89277292449466
variable y0 equal ${yi}
variable y0 equal 0.861734314668505
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.81250222880832
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.959874435174792
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
694 -2.9871562 -1.5795996 -1.5647187
695 -2.9871562 -1.5795996 -1.5798955
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.57989552020751
variable naccept equal ${increment}
variable naccept equal 232
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.49781333048116
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.4375419887569
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
695 -2.9871562 -1.5798955 -1.5798955
696 -2.9871562 -1.5798955 -1.5767902
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.89360781310894
variable y0 equal ${yi}
variable y0 equal 0.970815511453479
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.9541184008012
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 1.00244937728676
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
696 -2.9871562 -1.5798955 -1.5767902
697 -2.9871562 -1.5798955 -1.5617974
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.89360781310894
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.970815511453479
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.0944710194955
variable y0 equal ${yi}
variable y0 equal 4.65609761828349
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.06611787675716
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.67376009577678
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
697 -2.9871562 -1.5798955 -1.5617974
698 -2.9871562 -1.5798955 -1.5799326
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.57993262563053
variable naccept equal ${increment}
variable naccept equal 233
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.11236243842937
variable y0 equal ${yi}
variable y0 equal 8.24853718198832
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.19340493081905
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.21717744983729
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
698 -2.9871562 -1.5799326 -1.5799326
699 -2.9871562 -1.5799326 -1.5348958
Loop time of 4.22001e-05 on 1 procs for 1 steps with 100 atoms
2369.7% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.11236243842937
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.24853718198832
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.49239535489503
variable y0 equal ${yi}
variable y0 equal 3.71645880503785
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.4657503382248
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.71776780648362
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
699 -2.9871562 -1.5799326 -1.5348958
700 -2.9871562 -1.5799326 -1.572602
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.49239535489503
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.71645880503785
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 0.0739950656890791
variable y0 equal ${yi}
variable y0 equal 3.67012049718035
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x -0.0225914359092791
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.57947902245653
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
700 -2.9871562 -1.5799326 -1.572602
701 -2.9871562 -1.5799326 -1.5289998
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 0.0739950656890791
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.67012049718035
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.49241850216161
variable y0 equal ${yi}
variable y0 equal 3.62302048964632
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.51275517780553
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.68194531960619
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
701 -2.9871562 -1.5799326 -1.5289998
702 -2.9871562 -1.5799326 -1.5949064
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.59490640873723
variable naccept equal ${increment}
variable naccept equal 234
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4157506708166
variable y0 equal ${yi}
variable y0 equal 6.43439372316829
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.4132836226484
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.48601012960902
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
702 -2.9871562 -1.5949064 -1.5949064
703 -2.9871562 -1.5949064 -1.5889618
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.4157506708166
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.43439372316829
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.42581077654135
variable y0 equal ${yi}
variable y0 equal 0.00200206041336068
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.34387720663321
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.0551467657089234
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
703 -2.9871562 -1.5949064 -1.5889618
704 -2.9871562 -1.5949064 -1.5900979
Loop time of 4.22001e-05 on 1 procs for 1 steps with 100 atoms
2369.7% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.42581077654135
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.00200206041336068
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.50713398853207
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.75840978188645
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
704 -2.9871562 -1.5949064 -1.5900979
705 -2.9871562 -1.5949064 -1.5801183
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.81409508505946
variable y0 equal ${yi}
variable y0 equal 8.41906071819362
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.72313428441172
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.50924178279933
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
705 -2.9871562 -1.5949064 -1.5801183
706 -2.9871562 -1.5949064 -1.5436291
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.81409508505946
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.41906071819362
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.12744101880885
variable y0 equal ${yi}
variable y0 equal 6.56631985441675
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.20870062707759
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.57427093521585
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
706 -2.9871562 -1.5949064 -1.5436291
707 -2.9871562 -1.5949064 -1.5646234
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.12744101880885
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.56631985441675
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.50189744391863
variable y0 equal ${yi}
variable y0 equal 5.62625844423967
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.55546174207155
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.67337435429292
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
707 -2.9871562 -1.5949064 -1.5646234
708 -2.9871562 -1.5949064 -1.5952118
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.59521182279004
variable naccept equal ${increment}
variable naccept equal 235
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.51281969943906
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.68009410662782
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
708 -2.9871562 -1.5952118 -1.5952118
709 -2.9871562 -1.5952118 -1.5808686
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1610254410764
variable y0 equal ${yi}
variable y0 equal 8.2609955064207
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1810870651265
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.19933904327449
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
709 -2.9871562 -1.5952118 -1.5808686
710 -2.9871562 -1.5952118 -1.5762137
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.1610254410764
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.2609955064207
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.38908102591248
variable y0 equal ${yi}
variable y0 equal 5.51644262020785
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.52732812111575
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
710 -2.9871562 -1.5952118 -1.5762137
711 -2.9871562 -1.5952118 -1.595765
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.59576499617591
variable naccept equal ${increment}
variable naccept equal 236
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 74
variable x0 equal ${xi}
variable x0 equal 7.1464075712268
variable y0 equal ${yi}
variable y0 equal 6.56554357544413
set atom $i x ${xnew}
set atom 74 x ${xnew}
set atom 74 x 7.23013606348678
1 settings made for x
set atom $i y ${ynew}
set atom 74 y ${ynew}
set atom 74 y 6.51990543142786
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
711 -2.9871562 -1.595765 -1.595765
712 -2.9871562 -1.595765 -1.5235668
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 74 x ${x0}
set atom 74 x 7.1464075712268
1 settings made for x
set atom $i y ${y0}
set atom 74 y ${y0}
set atom 74 y 6.56554357544413
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.14655829985791
variable y0 equal ${yi}
variable y0 equal 7.47608772840762
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.15936544259244
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.53503431406283
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
712 -2.9871562 -1.595765 -1.5235668
713 -2.9871562 -1.595765 -1.5829051
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.14655829985791
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.47608772840762
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.81409508505946
variable y0 equal ${yi}
variable y0 equal 8.41906071819362
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.86775627652293
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.37060685075816
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
713 -2.9871562 -1.595765 -1.5829051
714 -2.9871562 -1.595765 -1.5503215
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.81409508505946
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.41906071819362
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.38658518313486
variable y0 equal ${yi}
variable y0 equal 7.46601674881243
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.37491369961817
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.49044490185045
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
714 -2.9871562 -1.595765 -1.5503215
715 -2.9871562 -1.595765 -1.5997881
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.59978807468615
variable naccept equal ${increment}
variable naccept equal 237
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.24897256533013
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.53692699995303
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
715 -2.9871562 -1.5997881 -1.5997881
716 -2.9871562 -1.5997881 -1.5789076
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.01127850452766
variable y0 equal ${yi}
variable y0 equal 9.27465030658572
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 1.92375337520942
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.19612406003802
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
716 -2.9871562 -1.5997881 -1.5789076
717 -2.9871562 -1.5997881 -1.4824054
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.01127850452766
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 9.27465030658572
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.55546174207155
variable y0 equal ${yi}
variable y0 equal 5.67337435429292
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.55568831124727
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.65434912388521
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
717 -2.9871562 -1.5997881 -1.4824054
718 -2.9871562 -1.5997881 -1.5950012
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.55546174207155
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67337435429292
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.79853938141947
variable y0 equal ${yi}
variable y0 equal 4.56348908299372
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.79677430907374
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.52313697689936
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
718 -2.9871562 -1.5997881 -1.5950012
719 -2.9871562 -1.5997881 -1.5785608
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.79853938141947
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.56348908299372
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.670342476764585
variable y0 equal ${yi}
variable y0 equal 6.59568084017267
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.636793156066801
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.69270237223139
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
719 -2.9871562 -1.5997881 -1.5785608
720 -2.9871562 -1.5997881 -1.5227031
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.670342476764585
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.59568084017267
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 0.926390245754054
variable y0 equal ${yi}
variable y0 equal 9.23904097783893
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 0.931894794303706
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.18481475818485
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
720 -2.9871562 -1.5997881 -1.5227031
721 -2.9871562 -1.5997881 -1.589362
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 3 x ${x0}
set atom 3 x 0.926390245754054
1 settings made for x
set atom $i y ${y0}
set atom 3 y ${y0}
set atom 3 y 9.23904097783893
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.35225354511948
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.46941865627963
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
721 -2.9871562 -1.5997881 -1.589362
722 -2.9871562 -1.5997881 -1.5967048
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.15834543148385
variable y0 equal ${yi}
variable y0 equal 1.95142827413148
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.07551352421151
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.92978098771638
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
722 -2.9871562 -1.5997881 -1.5967048
723 -2.9871562 -1.5997881 -1.5696155
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.15834543148385
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.95142827413148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.70111999392291
variable y0 equal ${yi}
variable y0 equal 6.45056509510509
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.64984414458056
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.45684722200862
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
723 -2.9871562 -1.5997881 -1.5696155
724 -2.9871562 -1.5997881 -1.5938164
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.70111999392291
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.45056509510509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.8845204738681
variable y0 equal ${yi}
variable y0 equal 1.04688491414817
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.87697189131424
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 1.08924629281791
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
724 -2.9871562 -1.5997881 -1.5938164
725 -2.9871562 -1.5997881 -1.5698286
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.8845204738681
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 1.04688491414817
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.39214122374269
variable y0 equal ${yi}
variable y0 equal 7.32321853962206
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.37566744168016
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.37287323799395
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
725 -2.9871562 -1.5997881 -1.5698286
726 -2.9871562 -1.5997881 -1.6309361
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.63093606699069
variable naccept equal ${increment}
variable naccept equal 238
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.96819095888778
variable y0 equal ${yi}
variable y0 equal 2.85498608323434
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.87445746937438
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.88949005576471
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
726 -2.9871562 -1.6309361 -1.6309361
727 -2.9871562 -1.6309361 -1.5887142
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.96819095888778
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.85498608323434
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.648263963049
variable y0 equal ${yi}
variable y0 equal 9.2079006861481
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.6932178576642
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.1674089978966
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
727 -2.9871562 -1.6309361 -1.5887142
728 -2.9871562 -1.6309361 -1.6081572
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.648263963049
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.2079006861481
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.452082355419064
variable y0 equal ${yi}
variable y0 equal 4.6216128265278
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.352174837985897
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.58545073622629
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
728 -2.9871562 -1.6309361 -1.6081572
729 -2.9871562 -1.6309361 -1.5894197
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 42 x ${x0}
set atom 42 x 0.452082355419064
1 settings made for x
set atom $i y ${y0}
set atom 42 y ${y0}
set atom 42 y 4.6216128265278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.93153694827548
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.93547909232476
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
729 -2.9871562 -1.6309361 -1.5894197
730 -2.9871562 -1.6309361 -1.5918897
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.85332814427712
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.79539506910918
variable y0 equal ${yi}
variable y0 equal 7.31491797294879
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.87459151028273
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.35500833120608
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
730 -2.9871562 -1.6309361 -1.5918897
731 -2.9871562 -1.6309361 -1.5662481
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.79539506910918
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.31491797294879
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.97432236313163
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.95785394879677
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
731 -2.9871562 -1.6309361 -1.5662481
732 -2.9871562 -1.6309361 -1.5594316
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.85868977280953
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.27791930833722
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.41208495226168
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
732 -2.9871562 -1.6309361 -1.5594316
733 -2.9871562 -1.6309361 -1.6109916
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.66067210634184
variable y0 equal ${yi}
variable y0 equal 2.84075683328011
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.60243755777311
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.88605238171914
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
733 -2.9871562 -1.6309361 -1.6109916
734 -2.9871562 -1.6309361 -1.6019794
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.66067210634184
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.84075683328011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.05527156868621
variable y0 equal ${yi}
variable y0 equal 4.53311400765344
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 6.95808832922622
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.50529096478387
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
734 -2.9871562 -1.6309361 -1.6019794
735 -2.9871562 -1.6309361 -1.5682676
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.05527156868621
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.53311400765344
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.70111999392291
variable y0 equal ${yi}
variable y0 equal 6.45056509510509
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.79266776919146
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.5215831352853
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
735 -2.9871562 -1.6309361 -1.5682676
736 -2.9871562 -1.6309361 -1.6140282
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.70111999392291
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.45056509510509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.51275517780553
variable y0 equal ${yi}
variable y0 equal 3.68194531960619
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.46207572061788
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.77484983964098
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
736 -2.9871562 -1.6309361 -1.6140282
737 -2.9871562 -1.6309361 -1.5014073
Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.51275517780553
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.68194531960619
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.48253180264112
variable y0 equal ${yi}
variable y0 equal 1.83061694285935
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.5227473544943
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.87318107268876
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
737 -2.9871562 -1.6309361 -1.5014073
738 -2.9871562 -1.6309361 -1.6208032
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.48253180264112
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.83061694285935
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.670342476764585
variable y0 equal ${yi}
variable y0 equal 6.59568084017267
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.633673818508054
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.63929970995416
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
738 -2.9871562 -1.6309361 -1.6208032
739 -2.9871562 -1.6309361 -1.6032552
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.670342476764585
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.59568084017267
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.70111999392291
variable y0 equal ${yi}
variable y0 equal 6.45056509510509
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.64127092242022
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.40492994324199
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
739 -2.9871562 -1.6309361 -1.6032552
740 -2.9871562 -1.6309361 -1.6196612
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.70111999392291
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.45056509510509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.3012590146021
variable y0 equal ${yi}
variable y0 equal 5.54728171770769
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.24710569142858
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.61021871512132
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
740 -2.9871562 -1.6309361 -1.6196612
741 -2.9871562 -1.6309361 -1.6231284
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.3012590146021
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.54728171770769
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.37566744168016
variable y0 equal ${yi}
variable y0 equal 7.37287323799395
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.36479252655717
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.37975311603808
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
741 -2.9871562 -1.6309361 -1.6231284
742 -2.9871562 -1.6309361 -1.6384165
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.63841648317525
variable naccept equal ${increment}
variable naccept equal 239
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 0.0538676500320435
variable y0 equal ${yi}
variable y0 equal 1.89676245830125
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 0.00301411151885991
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.98519864461488
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
742 -2.9871562 -1.6384165 -1.6384165
743 -2.9871562 -1.6384165 -1.6092129
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 0.0538676500320435
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.89676245830125
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.48253180264112
variable y0 equal ${yi}
variable y0 equal 1.83061694285935
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.49739758251783
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.84610255143708
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
743 -2.9871562 -1.6384165 -1.6092129
744 -2.9871562 -1.6384165 -1.6365705
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.48253180264112
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.83061694285935
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.06611787675716
variable y0 equal ${yi}
variable y0 equal 4.67376009577678
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.08665764926769
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.64979454630779
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
744 -2.9871562 -1.6384165 -1.6365705
745 -2.9871562 -1.6384165 -1.6370073
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.06611787675716
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.67376009577678
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.30047476052799
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.8175493435396
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
745 -2.9871562 -1.6384165 -1.6370073
746 -2.9871562 -1.6384165 -1.5649235
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.65167639136096
variable y0 equal ${yi}
variable y0 equal 4.64821097010537
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.61125521540423
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.63791933411523
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
746 -2.9871562 -1.6384165 -1.5649235
747 -2.9871562 -1.6384165 -1.6429005
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.6429004823848
variable naccept equal ${increment}
variable naccept equal 240
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 0.926390245754054
variable y0 equal ${yi}
variable y0 equal 9.23904097783893
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 1.01112441142254
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.18457223880618
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
747 -2.9871562 -1.6429005 -1.6429005
748 -2.9871562 -1.6429005 -1.6335341
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 3 x ${x0}
set atom 3 x 0.926390245754054
1 settings made for x
set atom $i y ${y0}
set atom 3 y ${y0}
set atom 3 y 9.23904097783893
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.49348578610842
variable y0 equal ${yi}
variable y0 equal 1.80821938893861
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.4640166060013
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.83354952714509
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
748 -2.9871562 -1.6429005 -1.6335341
749 -2.9871562 -1.6429005 -1.6350647
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 37 x ${x0}
set atom 37 x 8.49348578610842
1 settings made for x
set atom $i y ${y0}
set atom 37 y ${y0}
set atom 37 y 1.80821938893861
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.78488953311874
variable y0 equal ${yi}
variable y0 equal 6.49416505829325
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.85556197364761
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.57259013191691
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
749 -2.9871562 -1.6429005 -1.6350647
750 -2.9871562 -1.6429005 -1.6059406
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.78488953311874
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.49416505829325
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.648263963049
variable y0 equal ${yi}
variable y0 equal 9.2079006861481
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.7310548265629
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.11376322019427
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
750 -2.9871562 -1.6429005 -1.6059406
751 -2.9871562 -1.6429005 -1.5573738
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.648263963049
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.2079006861481
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.29979468662949
variable y0 equal ${yi}
variable y0 equal 3.68506254716051
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.25260524828644
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.6036994890703
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
751 -2.9871562 -1.6429005 -1.5573738
752 -2.9871562 -1.6429005 -1.5029427
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.29979468662949
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.68506254716051
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.13396360594779
variable y0 equal ${yi}
variable y0 equal 2.69964367123941
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.17293971497565
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.77695646258691
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
752 -2.9871562 -1.6429005 -1.5029427
753 -2.9871562 -1.6429005 -1.6546468
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.6546468449581
variable naccept equal ${increment}
variable naccept equal 241
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 0.0739950656890791
variable y0 equal ${yi}
variable y0 equal 3.67012049718035
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 0.107910585403435
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.6900085525049
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
753 -2.9871562 -1.6546468 -1.6546468
754 -2.9871562 -1.6546468 -1.634987
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 0.0739950656890791
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.67012049718035
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.52695003587972
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.54054437008166
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
754 -2.9871562 -1.6546468 -1.634987
755 -2.9871562 -1.6546468 -1.5951135
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 7.0883078245227
variable y0 equal ${yi}
variable y0 equal 8.34910107769069
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.01762646713897
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.4145590535551
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
755 -2.9871562 -1.6546468 -1.5951135
756 -2.9871562 -1.6546468 -1.6640279
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.66402790900867
variable naccept equal ${increment}
variable naccept equal 242
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.83310471732608
variable y0 equal ${yi}
variable y0 equal 8.3484317771345
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.75920706946841
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.33910961069163
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
756 -2.9871562 -1.6640279 -1.6640279
757 -2.9871562 -1.6640279 -1.6505606
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.83310471732608
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.3484317771345
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.49239535489503
variable y0 equal ${yi}
variable y0 equal 3.71645880503785
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.42614015498582
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.74090543551576
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
757 -2.9871562 -1.6640279 -1.6505606
758 -2.9871562 -1.6640279 -1.6162137
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2436.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.49239535489503
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.71645880503785
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.28535579521867
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.60561752264697
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
758 -2.9871562 -1.6640279 -1.6162137
759 -2.9871562 -1.6640279 -1.6501889
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.636496813693905
variable y0 equal ${yi}
variable y0 equal 2.67731568786004
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.77431966039041
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
759 -2.9871562 -1.6640279 -1.6501889
760 -2.9871562 -1.6640279 -1.6779591
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.67795914459641
variable naccept equal ${increment}
variable naccept equal 243
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.40621244429666
variable y0 equal ${yi}
variable y0 equal 2.0462150373227
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.32293939112741
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 2.12733689925736
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
760 -2.9871562 -1.6779591 -1.6779591
761 -2.9871562 -1.6779591 -1.5222415
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 33 x ${x0}
set atom 33 x 6.40621244429666
1 settings made for x
set atom $i y ${y0}
set atom 33 y ${y0}
set atom 33 y 2.0462150373227
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.55546174207155
variable y0 equal ${yi}
variable y0 equal 5.67337435429292
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.64769586482469
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.74426633064943
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
761 -2.9871562 -1.6779591 -1.5222415
762 -2.9871562 -1.6779591 -1.6547052
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.55546174207155
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67337435429292
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.2262481812498
variable y0 equal ${yi}
variable y0 equal 2.83032892915109
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.2805674914381
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.92251808616021
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
762 -2.9871562 -1.6779591 -1.6547052
763 -2.9871562 -1.6779591 -1.6263292
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.2262481812498
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.83032892915109
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 0.926390245754054
variable y0 equal ${yi}
variable y0 equal 9.23904097783893
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 0.92786357720547
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.21328888643115
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
763 -2.9871562 -1.6779591 -1.6263292
764 -2.9871562 -1.6779591 -1.6741133
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 3 x ${x0}
set atom 3 x 0.926390245754054
1 settings made for x
set atom $i y ${y0}
set atom 3 y ${y0}
set atom 3 y 9.23904097783893
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.40621244429666
variable y0 equal ${yi}
variable y0 equal 2.0462150373227
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.41822359084207
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 2.02412909648484
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
764 -2.9871562 -1.6779591 -1.6741133
765 -2.9871562 -1.6779591 -1.6750439
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 33 x ${x0}
set atom 33 x 6.40621244429666
1 settings made for x
set atom $i y ${y0}
set atom 33 y ${y0}
set atom 33 y 2.0462150373227
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.2262481812498
variable y0 equal ${yi}
variable y0 equal 2.83032892915109
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1586026314756
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.84872714253763
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
765 -2.9871562 -1.6779591 -1.6750439
766 -2.9871562 -1.6779591 -1.6684633
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.2262481812498
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.83032892915109
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1148146752378
variable y0 equal ${yi}
variable y0 equal 4.54698911065027
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.0152510050794
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.55071063393518
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
766 -2.9871562 -1.6779591 -1.6684633
767 -2.9871562 -1.6779591 -1.6399939
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.1148146752378
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.54698911065027
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.81409508505946
variable y0 equal ${yi}
variable y0 equal 8.41906071819362
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.82308257142192
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.35280972637233
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
767 -2.9871562 -1.6779591 -1.6399939
768 -2.9871562 -1.6779591 -1.6724705
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.81409508505946
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.41906071819362
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.96819095888778
variable y0 equal ${yi}
variable y0 equal 2.85498608323434
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.98216452875777
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.84653376313546
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
768 -2.9871562 -1.6779591 -1.6724705
769 -2.9871562 -1.6779591 -1.6758163
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.96819095888778
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.85498608323434
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54351456640837
variable y0 equal ${yi}
variable y0 equal 3.68936000628603
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.46963265417692
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.6760610417856
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
769 -2.9871562 -1.6779591 -1.6758163
770 -2.9871562 -1.6779591 -1.6493614
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.54351456640837
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.68936000628603
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.1398472491871
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.79803636832368
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
770 -2.9871562 -1.6779591 -1.6493614
771 -2.9871562 -1.6779591 -1.6739826
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.49239535489503
variable y0 equal ${yi}
variable y0 equal 3.71645880503785
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.47172871985856
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.66293279690873
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
771 -2.9871562 -1.6779591 -1.6739826
772 -2.9871562 -1.6779591 -1.6733275
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.49239535489503
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.71645880503785
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.9486086213523
variable y0 equal ${yi}
variable y0 equal 6.50839406982889
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.93018145202933
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.59526922241678
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
772 -2.9871562 -1.6779591 -1.6733275
773 -2.9871562 -1.6779591 -1.6382767
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.9486086213523
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.50839406982889
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.31234352428687
variable y0 equal ${yi}
variable y0 equal 1.89091948649949
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.33032622177375
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.90223668000764
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
773 -2.9871562 -1.6779591 -1.6382767
774 -2.9871562 -1.6779591 -1.6889712
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.68897118738555
variable naccept equal ${increment}
variable naccept equal 244
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.27643877028982
variable y0 equal ${yi}
variable y0 equal 0.075750613212595
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.30583195447485
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 0.119071543216715
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
774 -2.9871562 -1.6889712 -1.6889712
775 -2.9871562 -1.6889712 -1.6876309
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.27643877028982
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.075750613212595
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.33032622177375
variable y0 equal ${yi}
variable y0 equal 1.90223668000764
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.37088978130592
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.86757599494523
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
775 -2.9871562 -1.6889712 -1.6876309
776 -2.9871562 -1.6889712 -1.7105402
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.71054017255532
variable naccept equal ${increment}
variable naccept equal 245
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.15155310948544
variable y0 equal ${yi}
variable y0 equal 1.8275491871602
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.06295477469616
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.85711895606584
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
776 -2.9871562 -1.7105402 -1.7105402
777 -2.9871562 -1.7105402 -1.7073895
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.15155310948544
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.8275491871602
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.31488733370514
variable y0 equal ${yi}
variable y0 equal 0.0164698362350535
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.36862380583496
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 0.0675842165947032
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
777 -2.9871562 -1.7105402 -1.7073895
778 -2.9871562 -1.7105402 -1.6921826
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.31488733370514
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.0164698362350535
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.42581077654135
variable y0 equal ${yi}
variable y0 equal 0.00200206041336068
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.49058282215368
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y -0.0580859661102294
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
778 -2.9871562 -1.7105402 -1.6921826
779 -2.9871562 -1.7105402 -1.6998795
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.42581077654135
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.00200206041336068
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.05503968318158
variable y0 equal ${yi}
variable y0 equal 3.70494679970873
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.15410325844937
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.75003771348131
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
779 -2.9871562 -1.7105402 -1.6998795
780 -2.9871562 -1.7105402 -1.7123251
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.71232510082671
variable naccept equal ${increment}
variable naccept equal 246
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1610254410764
variable y0 equal ${yi}
variable y0 equal 8.2609955064207
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.2077820662519
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.20004818357524
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
780 -2.9871562 -1.7123251 -1.7123251
781 -2.9871562 -1.7123251 -1.6917081
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.1610254410764
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.2609955064207
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.05527156868621
variable y0 equal ${yi}
variable y0 equal 4.53311400765344
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.02894908466979
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.5368351375477
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
781 -2.9871562 -1.7123251 -1.6917081
782 -2.9871562 -1.7123251 -1.7146375
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.71463748059898
variable naccept equal ${increment}
variable naccept equal 247
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 7.01762646713897
variable y0 equal ${yi}
variable y0 equal 8.4145590535551
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.01873191872283
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.44720358766612
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
782 -2.9871562 -1.7146375 -1.7146375
783 -2.9871562 -1.7146375 -1.7012399
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 7.01762646713897
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.4145590535551
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.89360781310894
variable y0 equal ${yi}
variable y0 equal 0.970815511453479
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.94428206085064
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.968377371538013
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
783 -2.9871562 -1.7146375 -1.7012399
784 -2.9871562 -1.7146375 -1.7108684
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.89360781310894
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.970815511453479
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.16308992821724
variable y0 equal ${yi}
variable y0 equal 8.28462620891627
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.16885812003166
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.23131354965266
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
784 -2.9871562 -1.7146375 -1.7108684
785 -2.9871562 -1.7146375 -1.704114
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 98 x ${x0}
set atom 98 x 9.16308992821724
1 settings made for x
set atom $i y ${y0}
set atom 98 y ${y0}
set atom 98 y 8.28462620891627
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.4949854779112
variable y0 equal ${yi}
variable y0 equal 0.0935324668884274
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.47284794329282
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.0353238224983212
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
785 -2.9871562 -1.7146375 -1.704114
786 -2.9871562 -1.7146375 -1.7045183
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.4949854779112
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0935324668884274
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.36479252655717
variable y0 equal ${yi}
variable y0 equal 7.37975311603808
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.37330011208268
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.46112735595965
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
786 -2.9871562 -1.7146375 -1.7045183
787 -2.9871562 -1.7146375 -1.6132875
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.36479252655717
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.37975311603808
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.49239535489503
variable y0 equal ${yi}
variable y0 equal 3.71645880503785
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.50438862004701
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.75084009928834
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
787 -2.9871562 -1.7146375 -1.6132875
788 -2.9871562 -1.7146375 -1.7141844
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.49239535489503
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.71645880503785
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.11236243842937
variable y0 equal ${yi}
variable y0 equal 8.24853718198832
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.10908727048732
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.17876176752146
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
788 -2.9871562 -1.7146375 -1.7141844
789 -2.9871562 -1.7146375 -1.6759486
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.11236243842937
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.24853718198832
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.01127850452766
variable y0 equal ${yi}
variable y0 equal 9.27465030658572
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 1.95344397465095
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.27187876212924
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
789 -2.9871562 -1.7146375 -1.6759486
790 -2.9871562 -1.7146375 -1.6944996
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.01127850452766
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 9.27465030658572
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.6697051664157
variable y0 equal ${yi}
variable y0 equal 0.985170360315169
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.62979371746016
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 1.07454545091423
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
790 -2.9871562 -1.7146375 -1.6944996
791 -2.9871562 -1.7146375 -1.7001172
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.6697051664157
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.985170360315169
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.65958938796949
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.6520207678692
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
791 -2.9871562 -1.7146375 -1.7001172
792 -2.9871562 -1.7146375 -1.7051613
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.83310471732608
variable y0 equal ${yi}
variable y0 equal 8.3484317771345
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.80959312875262
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.4397501698881
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
792 -2.9871562 -1.7146375 -1.7051613
793 -2.9871562 -1.7146375 -1.7049266
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.83310471732608
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.3484317771345
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 74
variable x0 equal ${xi}
variable x0 equal 7.1464075712268
variable y0 equal ${yi}
variable y0 equal 6.56554357544413
set atom $i x ${xnew}
set atom 74 x ${xnew}
set atom 74 x 7.13868027010604
1 settings made for x
set atom $i y ${ynew}
set atom 74 y ${ynew}
set atom 74 y 6.65474031702509
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
793 -2.9871562 -1.7146375 -1.7049266
794 -2.9871562 -1.7146375 -1.6217317
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 74 x ${x0}
set atom 74 x 7.1464075712268
1 settings made for x
set atom $i y ${y0}
set atom 74 y ${y0}
set atom 74 y 6.56554357544413
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.96819095888778
variable y0 equal ${yi}
variable y0 equal 2.85498608323434
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 7.03446907082244
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.790668761457
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
794 -2.9871562 -1.7146375 -1.6217317
795 -2.9871562 -1.7146375 -1.6755906
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.96819095888778
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.85498608323434
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.31983832835275
variable y0 equal ${yi}
variable y0 equal 9.28122769105762
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.38742891072351
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 9.19825496185153
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
795 -2.9871562 -1.7146375 -1.6755906
796 -2.9871562 -1.7146375 -1.7035873
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.31983832835275
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 9.28122769105762
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.51275517780553
variable y0 equal ${yi}
variable y0 equal 3.68194531960619
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.49120453436147
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.61259910626543
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
796 -2.9871562 -1.7146375 -1.7035873
797 -2.9871562 -1.7146375 -1.6890186
Loop time of 8.10623e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.51275517780553
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.68194531960619
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.2262481812498
variable y0 equal ${yi}
variable y0 equal 2.83032892915109
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.78276804658273
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
797 -2.9871562 -1.7146375 -1.6890186
798 -2.9871562 -1.7146375 -1.7149487
Loop time of 3.8147e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.71494868943985
variable naccept equal ${increment}
variable naccept equal 248
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.61017632642214
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.45248262014652
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
798 -2.9871562 -1.7149487 -1.7149487
799 -2.9871562 -1.7149487 -1.6983414
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.11236243842937
variable y0 equal ${yi}
variable y0 equal 8.24853718198832
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.05121116041042
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.23917953886088
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
799 -2.9871562 -1.7149487 -1.6983414
800 -2.9871562 -1.7149487 -1.712876
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.11236243842937
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.24853718198832
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.670342476764585
variable y0 equal ${yi}
variable y0 equal 6.59568084017267
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.644441111484434
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.66990383402338
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
800 -2.9871562 -1.7149487 -1.712876
801 -2.9871562 -1.7149487 -1.6668706
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.670342476764585
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.59568084017267
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.19226642608205
variable y0 equal ${yi}
variable y0 equal 1.99900682351654
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.12774531602422
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 2.06417869708603
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
801 -2.9871562 -1.7149487 -1.6668706
802 -2.9871562 -1.7149487 -1.6473225
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.19226642608205
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.99900682351654
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.6584085718674
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.33811192837024
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
802 -2.9871562 -1.7149487 -1.6473225
803 -2.9871562 -1.7149487 -1.674558
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.670342476764585
variable y0 equal ${yi}
variable y0 equal 6.59568084017267
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.640926618972684
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.62278335825433
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
803 -2.9871562 -1.7149487 -1.674558
804 -2.9871562 -1.7149487 -1.6990439
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.670342476764585
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.59568084017267
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.44764589826193
variable y0 equal ${yi}
variable y0 equal 8.32563534893091
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.366899044910337
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.33923450626428
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
804 -2.9871562 -1.7149487 -1.6990439
805 -2.9871562 -1.7149487 -1.6794377
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.44764589826193
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.32563534893091
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.81409508505946
variable y0 equal ${yi}
variable y0 equal 8.41906071819362
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.74803724805003
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.50701206840572
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
805 -2.9871562 -1.7149487 -1.6794377
806 -2.9871562 -1.7149487 -1.6857677
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.81409508505946
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.41906071819362
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.15155310948544
variable y0 equal ${yi}
variable y0 equal 1.8275491871602
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.07676643450909
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.85376013896531
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
806 -2.9871562 -1.7149487 -1.6857677
807 -2.9871562 -1.7149487 -1.7154124
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.71541235117933
variable naccept equal ${increment}
variable naccept equal 249
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.19226642608205
variable y0 equal ${yi}
variable y0 equal 1.99900682351654
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.17815570592443
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.94011161706512
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
807 -2.9871562 -1.7154124 -1.7154124
808 -2.9871562 -1.7154124 -1.712074
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.19226642608205
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.99900682351654
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.670342476764585
variable y0 equal ${yi}
variable y0 equal 6.59568084017267
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.755311007896329
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.66811671988001
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
808 -2.9871562 -1.7154124 -1.712074
809 -2.9871562 -1.7154124 -1.6360247
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.670342476764585
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.59568084017267
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4157506708166
variable y0 equal ${yi}
variable y0 equal 6.43439372316829
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.3847260002157
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.41507747904292
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
809 -2.9871562 -1.7154124 -1.6360247
810 -2.9871562 -1.7154124 -1.7116759
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.4157506708166
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.43439372316829
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.49823891638834
variable y0 equal ${yi}
variable y0 equal 3.73309955163132
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.5353129100712
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.70306807322632
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
810 -2.9871562 -1.7154124 -1.7116759
811 -2.9871562 -1.7154124 -1.7050583
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.49823891638834
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.73309955163132
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.93586747366935
variable y0 equal ${yi}
variable y0 equal 0.897689135778275
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.98561896998435
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.845864470708695
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
811 -2.9871562 -1.7154124 -1.7050583
812 -2.9871562 -1.7154124 -1.6765198
Loop time of 4.22001e-05 on 1 procs for 1 steps with 100 atoms
2369.7% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.93586747366935
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.897689135778275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.02894908466979
variable y0 equal ${yi}
variable y0 equal 4.5368351375477
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.05895539799377
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.54176601523325
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
812 -2.9871562 -1.7154124 -1.6765198
813 -2.9871562 -1.7154124 -1.7179262
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.71792617158171
variable naccept equal ${increment}
variable naccept equal 250
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.12867298761712
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.4769077095058
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
813 -2.9871562 -1.7179262 -1.7179262
814 -2.9871562 -1.7179262 -1.7085591
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.37579730828019
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.48046635334689
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
814 -2.9871562 -1.7179262 -1.7085591
815 -2.9871562 -1.7179262 -1.7166566
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.49239535489503
variable y0 equal ${yi}
variable y0 equal 3.71645880503785
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.54407576480333
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.66106940074097
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
815 -2.9871562 -1.7179262 -1.7166566
816 -2.9871562 -1.7179262 -1.7238768
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.7238768318224
variable naccept equal ${increment}
variable naccept equal 251
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.15834543148385
variable y0 equal ${yi}
variable y0 equal 1.95142827413148
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.19929245153771
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.88929442546434
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
816 -2.9871562 -1.7238768 -1.7238768
817 -2.9871562 -1.7238768 -1.7215747
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.15834543148385
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.95142827413148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.46953660646344
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.80056632323396
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
817 -2.9871562 -1.7238768 -1.7215747
818 -2.9871562 -1.7238768 -1.6380307
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.70111999392291
variable y0 equal ${yi}
variable y0 equal 6.45056509510509
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.68808116793414
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.45315314070217
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
818 -2.9871562 -1.7238768 -1.6380307
819 -2.9871562 -1.7238768 -1.7236905
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.72369048372649
variable naccept equal ${increment}
variable naccept equal 252
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.19226642608205
variable y0 equal ${yi}
variable y0 equal 1.99900682351654
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.27580102443258
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 2.01401815793579
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
819 -2.9871562 -1.7236905 -1.7236905
820 -2.9871562 -1.7236905 -1.7207422
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.19226642608205
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.99900682351654
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.31983832835275
variable y0 equal ${yi}
variable y0 equal 9.28122769105762
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.34766563891488
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 9.31750871646732
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
820 -2.9871562 -1.7236905 -1.7207422
821 -2.9871562 -1.7236905 -1.7299009
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.72990088558441
variable naccept equal ${increment}
variable naccept equal 253
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.506126149097347
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.79404684277872
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
821 -2.9871562 -1.7299009 -1.7299009
822 -2.9871562 -1.7299009 -1.7200473
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.82051015734016
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.87694795104363
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
822 -2.9871562 -1.7299009 -1.7200473
823 -2.9871562 -1.7299009 -1.7187772
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.85868977280953
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.01127850452766
variable y0 equal ${yi}
variable y0 equal 9.27465030658572
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.00726719538078
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.30946243512957
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
823 -2.9871562 -1.7299009 -1.7187772
824 -2.9871562 -1.7299009 -1.7320613
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.73206125250078
variable naccept equal ${increment}
variable naccept equal 254
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.8117458124919
variable y0 equal ${yi}
variable y0 equal 8.46798524774608
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.82491954763365
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.43477009452876
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
824 -2.9871562 -1.7320613 -1.7320613
825 -2.9871562 -1.7320613 -1.7284482
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.8117458124919
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.46798524774608
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.19226642608205
variable y0 equal ${yi}
variable y0 equal 1.99900682351654
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.11506557225743
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 2.08289370915955
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
825 -2.9871562 -1.7320613 -1.7284482
826 -2.9871562 -1.7320613 -1.6249889
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.19226642608205
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.99900682351654
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.81409508505946
variable y0 equal ${yi}
variable y0 equal 8.41906071819362
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.80300982514506
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.35141929306087
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
826 -2.9871562 -1.7320613 -1.6249889
827 -2.9871562 -1.7320613 -1.7346054
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.73460542707606
variable naccept equal ${increment}
variable naccept equal 255
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.15834543148385
variable y0 equal ${yi}
variable y0 equal 1.95142827413148
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.86157575032777
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
827 -2.9871562 -1.7346054 -1.7346054
828 -2.9871562 -1.7346054 -1.7375381
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.73753808415106
variable naccept equal ${increment}
variable naccept equal 256
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.6911063273601
variable y0 equal ${yi}
variable y0 equal 5.45732250158982
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.7603496750049
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.40226048176484
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
828 -2.9871562 -1.7375381 -1.7375381
829 -2.9871562 -1.7375381 -1.6715626
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 10.6911063273601
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.45732250158982
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.3012590146021
variable y0 equal ${yi}
variable y0 equal 5.54728171770769
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.31808795690099
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.6091846699019
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
829 -2.9871562 -1.7375381 -1.6715626
830 -2.9871562 -1.7375381 -1.7378855
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.73788552752348
variable naccept equal ${increment}
variable naccept equal 257
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.33270156462403
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.62247182076175
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
830 -2.9871562 -1.7378855 -1.7378855
831 -2.9871562 -1.7378855 -1.731006
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.11236243842937
variable y0 equal ${yi}
variable y0 equal 8.24853718198832
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.0390900432954
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.15848807014521
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
831 -2.9871562 -1.7378855 -1.731006
832 -2.9871562 -1.7378855 -1.6564567
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.11236243842937
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.24853718198832
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.452082355419064
variable y0 equal ${yi}
variable y0 equal 4.6216128265278
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.463221640983487
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.61717816943094
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
832 -2.9871562 -1.7378855 -1.6564567
833 -2.9871562 -1.7378855 -1.7413497
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.74134970778084
variable naccept equal ${increment}
variable naccept equal 258
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.10097406545983
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.77437192580766
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
833 -2.9871562 -1.7413497 -1.7413497
834 -2.9871562 -1.7413497 -1.7142023
Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 7.01762646713897
variable y0 equal ${yi}
variable y0 equal 8.4145590535551
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.10199905911132
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.48179557241496
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
834 -2.9871562 -1.7413497 -1.7142023
835 -2.9871562 -1.7413497 -1.6541726
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 7.01762646713897
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.4145590535551
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.79853938141947
variable y0 equal ${yi}
variable y0 equal 4.56348908299372
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.76206280509119
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.61360334509775
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
835 -2.9871562 -1.7413497 -1.6541726
836 -2.9871562 -1.7413497 -1.7474607
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.74746065385794
variable naccept equal ${increment}
variable naccept equal 259
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.51275517780553
variable y0 equal ${yi}
variable y0 equal 3.68194531960619
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.41856354315053
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.62043429179323
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
836 -2.9871562 -1.7474607 -1.7474607
837 -2.9871562 -1.7474607 -1.6352291
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.51275517780553
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.68194531960619
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.80300982514506
variable y0 equal ${yi}
variable y0 equal 8.35141929306087
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.78031573811656
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.45079431451854
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
837 -2.9871562 -1.7474607 -1.6352291
838 -2.9871562 -1.7474607 -1.7443247
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.80300982514506
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.35141929306087
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.49823891638834
variable y0 equal ${yi}
variable y0 equal 3.73309955163132
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.43797509192545
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.75269721312653
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
838 -2.9871562 -1.7474607 -1.7443247
839 -2.9871562 -1.7474607 -1.7189583
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.49823891638834
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.73309955163132
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.79539506910918
variable y0 equal ${yi}
variable y0 equal 7.31491797294879
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.71676251171706
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.30314036932254
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
839 -2.9871562 -1.7474607 -1.7189583
840 -2.9871562 -1.7474607 -1.7257599
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.79539506910918
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.31491797294879
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.40756498654099
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.47580430453021
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
840 -2.9871562 -1.7474607 -1.7257599
841 -2.9871562 -1.7474607 -1.7448247
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.55546174207155
variable y0 equal ${yi}
variable y0 equal 5.67337435429292
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.64938848176424
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.74479483311372
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
841 -2.9871562 -1.7474607 -1.7448247
842 -2.9871562 -1.7474607 -1.723538
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.55546174207155
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67337435429292
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.61125521540423
variable y0 equal ${yi}
variable y0 equal 4.63791933411523
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.68902118086596
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.62316301220819
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
842 -2.9871562 -1.7474607 -1.723538
843 -2.9871562 -1.7474607 -1.7367142
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.61125521540423
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.63791933411523
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.43141517479192
variable y0 equal ${yi}
variable y0 equal 5.56478210632998
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.42118378717672
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.53502851669985
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
843 -2.9871562 -1.7474607 -1.7367142
844 -2.9871562 -1.7474607 -1.7437864
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 75 x ${x0}
set atom 75 x 7.43141517479192
1 settings made for x
set atom $i y ${y0}
set atom 75 y ${y0}
set atom 75 y 5.56478210632998
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4157506708166
variable y0 equal ${yi}
variable y0 equal 6.43439372316829
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.3655255559942
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.39485923782817
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
844 -2.9871562 -1.7474607 -1.7437864
845 -2.9871562 -1.7474607 -1.7298688
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.4157506708166
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.43439372316829
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.3139669903061
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.59370591585833
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
845 -2.9871562 -1.7474607 -1.7298688
846 -2.9871562 -1.7474607 -1.7389343
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.43885856071379
variable y0 equal ${yi}
variable y0 equal 5.558475553443
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.3636493364897
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.64867931549744
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
846 -2.9871562 -1.7474607 -1.7389343
847 -2.9871562 -1.7474607 -1.722129
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.43885856071379
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.558475553443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.48253180264112
variable y0 equal ${yi}
variable y0 equal 1.83061694285935
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.47240171908018
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.88506176850861
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
847 -2.9871562 -1.7474607 -1.722129
848 -2.9871562 -1.7474607 -1.7206962
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.48253180264112
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.83061694285935
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.05895539799377
variable y0 equal ${yi}
variable y0 equal 4.54176601523325
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.07315314093276
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.61574550026819
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
848 -2.9871562 -1.7474607 -1.7206962
849 -2.9871562 -1.7474607 -1.7620799
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.76207991831476
variable naccept equal ${increment}
variable naccept equal 260
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.17293971497565
variable y0 equal ${yi}
variable y0 equal 2.77695646258691
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.20978398043662
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.75552356215814
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
849 -2.9871562 -1.7620799 -1.7620799
850 -2.9871562 -1.7620799 -1.7416089
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.17293971497565
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.77695646258691
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.27689530053999
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0811638355255102
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
850 -2.9871562 -1.7620799 -1.7416089
851 -2.9871562 -1.7620799 -1.7359606
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.83310471732608
variable y0 equal ${yi}
variable y0 equal 8.3484317771345
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.88852144439212
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.27566140808161
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
851 -2.9871562 -1.7620799 -1.7359606
852 -2.9871562 -1.7620799 -1.7144672
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.83310471732608
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.3484317771345
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.42581077654135
variable y0 equal ${yi}
variable y0 equal 0.00200206041336068
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.36191954452765
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y -0.0152604103088378
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
852 -2.9871562 -1.7620799 -1.7144672
853 -2.9871562 -1.7620799 -1.7353789
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.42581077654135
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.00200206041336068
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 0.987933591205408
variable y0 equal ${yi}
variable y0 equal 5.5415678853293
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 0.970411589938929
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.63164653723436
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
853 -2.9871562 -1.7620799 -1.7353789
854 -2.9871562 -1.7620799 -1.7544478
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 63 x ${x0}
set atom 63 x 0.987933591205408
1 settings made for x
set atom $i y ${y0}
set atom 63 y ${y0}
set atom 63 y 5.5415678853293
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.42581077654135
variable y0 equal ${yi}
variable y0 equal 0.00200206041336068
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.50117924053442
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 9.1314315796738e-06
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
854 -2.9871562 -1.7620799 -1.7544478
855 -2.9871562 -1.7620799 -1.7678181
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.7678180974512
variable naccept equal ${increment}
variable naccept equal 261
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.12744101880885
variable y0 equal ${yi}
variable y0 equal 6.56631985441675
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.07809329627849
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.61771571175089
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
855 -2.9871562 -1.7678181 -1.7678181
856 -2.9871562 -1.7678181 -1.7414795
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.12744101880885
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.56631985441675
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.6697051664157
variable y0 equal ${yi}
variable y0 equal 0.985170360315169
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.67562869985534
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.952592285383071
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
856 -2.9871562 -1.7678181 -1.7414795
857 -2.9871562 -1.7678181 -1.7715483
Loop time of 4.22001e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.77154834512522
variable naccept equal ${increment}
variable naccept equal 262
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.1799755902961
variable y0 equal ${yi}
variable y0 equal 6.56346605555049
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.27159607131035
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.60711233154765
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
857 -2.9871562 -1.7715483 -1.7715483
858 -2.9871562 -1.7715483 -1.6883269
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.1799755902961
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.56346605555049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.80300982514506
variable y0 equal ${yi}
variable y0 equal 8.35141929306087
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.78193971434718
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.31736352361736
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
858 -2.9871562 -1.7715483 -1.6883269
859 -2.9871562 -1.7715483 -1.7714943
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.77149428687474
variable naccept equal ${increment}
variable naccept equal 263
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.81250222880832
variable y0 equal ${yi}
variable y0 equal 0.959874435174792
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.79718234498493
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.980774923074572
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
859 -2.9871562 -1.7714943 -1.7714943
860 -2.9871562 -1.7714943 -1.7610263
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.81250222880832
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.959874435174792
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.48253180264112
variable y0 equal ${yi}
variable y0 equal 1.83061694285935
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.4890811848509
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.9203353919751
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
860 -2.9871562 -1.7714943 -1.7610263
861 -2.9871562 -1.7714943 -1.7253484
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.48253180264112
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.83061694285935
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.37491369961817
variable y0 equal ${yi}
variable y0 equal 7.49044490185045
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.4014548849972
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.57898224916719
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
861 -2.9871562 -1.7714943 -1.7253484
862 -2.9871562 -1.7714943 -1.767324
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.37491369961817
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.49044490185045
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.8117458124919
variable y0 equal ${yi}
variable y0 equal 8.46798524774608
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.76742996175719
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.37876136220989
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
862 -2.9871562 -1.7714943 -1.767324
863 -2.9871562 -1.7714943 -1.77987
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.77986997125106
variable naccept equal ${increment}
variable naccept equal 264
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1148146752378
variable y0 equal ${yi}
variable y0 equal 4.54698911065027
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.1870918158552
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.52216164225504
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
863 -2.9871562 -1.77987 -1.77987
864 -2.9871562 -1.77987 -1.7770706
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.1148146752378
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.54698911065027
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 0.987933591205408
variable y0 equal ${yi}
variable y0 equal 5.5415678853293
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 0.940977111656
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.55659837668138
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
864 -2.9871562 -1.77987 -1.7770706
865 -2.9871562 -1.77987 -1.7705454
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 63 x ${x0}
set atom 63 x 0.987933591205408
1 settings made for x
set atom $i y ${y0}
set atom 63 y ${y0}
set atom 63 y 5.5415678853293
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.85495240012294
variable y0 equal ${yi}
variable y0 equal 6.60158496633997
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.79614609995967
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.5482283546113
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
865 -2.9871562 -1.77987 -1.7705454
866 -2.9871562 -1.77987 -1.806665
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.806665028451
variable naccept equal ${increment}
variable naccept equal 265
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.67562869985534
variable y0 equal ${yi}
variable y0 equal 0.952592285383071
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.64316184719039
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.981975110280837
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
866 -2.9871562 -1.806665 -1.806665
867 -2.9871562 -1.806665 -1.7997506
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.67562869985534
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.952592285383071
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.27643877028982
variable y0 equal ${yi}
variable y0 equal 0.075750613212595
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.29421101569692
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 0.0836683034896946
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
867 -2.9871562 -1.806665 -1.7997506
868 -2.9871562 -1.806665 -1.8041576
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.27643877028982
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.075750613212595
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.15410325844937
variable y0 equal ${yi}
variable y0 equal 3.75003771348131
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.07365404685193
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.82614970965517
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
868 -2.9871562 -1.806665 -1.8041576
869 -2.9871562 -1.806665 -1.7886142
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.15410325844937
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.75003771348131
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.27643877028982
variable y0 equal ${yi}
variable y0 equal 0.075750613212595
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 0.0240613460540867
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
869 -2.9871562 -1.806665 -1.7886142
870 -2.9871562 -1.806665 -1.8091695
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.80916947117934
variable naccept equal ${increment}
variable naccept equal 266
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 7.01762646713897
variable y0 equal ${yi}
variable y0 equal 8.4145590535551
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.06616003790542
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.3359661928564
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
870 -2.9871562 -1.8091695 -1.8091695
871 -2.9871562 -1.8091695 -1.7984077
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 7.01762646713897
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.4145590535551
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.44764589826193
variable y0 equal ${yi}
variable y0 equal 8.32563534893091
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.437935324111845
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.27539102949197
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
871 -2.9871562 -1.8091695 -1.7984077
872 -2.9871562 -1.8091695 -1.8011407
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.44764589826193
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.32563534893091
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.49823891638834
variable y0 equal ${yi}
variable y0 equal 3.73309955163132
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.45785246609766
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.78388739390503
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
872 -2.9871562 -1.8091695 -1.8011407
873 -2.9871562 -1.8091695 -1.7772647
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.49823891638834
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.73309955163132
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.80888134757167
variable y0 equal ${yi}
variable y0 equal 2.87047326537469
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.85786454001552
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.82388043376306
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
873 -2.9871562 -1.8091695 -1.7772647
874 -2.9871562 -1.8091695 -1.8156336
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.81563357000894
variable naccept equal ${increment}
variable naccept equal 267
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.85718136985294
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.75521967383721
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
874 -2.9871562 -1.8156336 -1.8156336
875 -2.9871562 -1.8156336 -1.7610176
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.85332814427712
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68808116793414
variable y0 equal ${yi}
variable y0 equal 6.45315314070217
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.68556072592517
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.51192690865032
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
875 -2.9871562 -1.8156336 -1.7610176
876 -2.9871562 -1.8156336 -1.8144365
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68808116793414
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.45315314070217
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.23823409715997
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.44090699281955
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
876 -2.9871562 -1.8156336 -1.8144365
877 -2.9871562 -1.8156336 -1.8028861
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.670342476764585
variable y0 equal ${yi}
variable y0 equal 6.59568084017267
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.69972850839224
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.49726980463495
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
877 -2.9871562 -1.8156336 -1.8028861
878 -2.9871562 -1.8156336 -1.8168734
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.81687335600279
variable naccept equal ${increment}
variable naccept equal 268
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.17293971497565
variable y0 equal ${yi}
variable y0 equal 2.77695646258691
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.21257117707282
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.75463815900186
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
878 -2.9871562 -1.8168734 -1.8168734
879 -2.9871562 -1.8168734 -1.794346
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.17293971497565
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.77695646258691
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.648263963049
variable y0 equal ${yi}
variable y0 equal 9.2079006861481
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.7263296087437
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.29605919826358
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
879 -2.9871562 -1.8168734 -1.794346
880 -2.9871562 -1.8168734 -1.7888548
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.648263963049
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.2079006861481
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.18878640571939
variable y0 equal ${yi}
variable y0 equal 5.5354710811873
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.09638055006372
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.52158027832704
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
880 -2.9871562 -1.8168734 -1.7888548
881 -2.9871562 -1.8168734 -1.8095481
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.18878640571939
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5354710811873
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 74
variable x0 equal ${xi}
variable x0 equal 7.1464075712268
variable y0 equal ${yi}
variable y0 equal 6.56554357544413
set atom $i x ${xnew}
set atom 74 x ${xnew}
set atom 74 x 7.09398345032379
1 settings made for x
set atom $i y ${ynew}
set atom 74 y ${ynew}
set atom 74 y 6.52802731529703
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
881 -2.9871562 -1.8168734 -1.8095481
882 -2.9871562 -1.8168734 -1.8485043
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.84850433096387
variable naccept equal ${increment}
variable naccept equal 269
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.37491369961817
variable y0 equal ${yi}
variable y0 equal 7.49044490185045
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.35256179093439
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.41641402569078
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
882 -2.9871562 -1.8485043 -1.8485043
883 -2.9871562 -1.8485043 -1.7839934
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.37491369961817
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.49044490185045
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.18878640571939
variable y0 equal ${yi}
variable y0 equal 5.5354710811873
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.11623547712671
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.54375295584398
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
883 -2.9871562 -1.8485043 -1.7839934
884 -2.9871562 -1.8485043 -1.8447424
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.18878640571939
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5354710811873
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.43885856071379
variable y0 equal ${yi}
variable y0 equal 5.558475553443
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.49670985141661
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.54231803362565
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
884 -2.9871562 -1.8485043 -1.8447424
885 -2.9871562 -1.8485043 -1.8213681
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.43885856071379
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.558475553443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.50117924053442
variable y0 equal ${yi}
variable y0 equal 9.1314315796738e-06
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.45333666641485
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.0547606468200684
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
885 -2.9871562 -1.8485043 -1.8213681
886 -2.9871562 -1.8485043 -1.8495105
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.84951047963468
variable naccept equal ${increment}
variable naccept equal 270
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.12744101880885
variable y0 equal ${yi}
variable y0 equal 6.56631985441675
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.09401165841914
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.63510320917597
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
886 -2.9871562 -1.8495105 -1.8495105
887 -2.9871562 -1.8495105 -1.8311127
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.12744101880885
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.56631985441675
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.00726719538078
variable y0 equal ${yi}
variable y0 equal 0.00341384410857337
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.01052051226005
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y -0.0541815400123678
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
887 -2.9871562 -1.8495105 -1.8311127
888 -2.9871562 -1.8495105 -1.8403448
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.00726719538078
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 0.00341384410857337
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.6911063273601
variable y0 equal ${yi}
variable y0 equal 5.45732250158982
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.6780122597866
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.49399188702302
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
888 -2.9871562 -1.8495105 -1.8403448
889 -2.9871562 -1.8495105 -1.8445207
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 10.6911063273601
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.45732250158982
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.33299971897813
variable y0 equal ${yi}
variable y0 equal 1.87642453095979
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.40642988760682
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.93637384555406
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
889 -2.9871562 -1.8495105 -1.8445207
890 -2.9871562 -1.8495105 -1.8049042
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.33299971897813
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.87642453095979
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.80276870687
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.87720658751824
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
890 -2.9871562 -1.8495105 -1.8049042
891 -2.9871562 -1.8495105 -1.7718696
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.85332814427712
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.302839982893
variable y0 equal ${yi}
variable y0 equal 0.902523060548633
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.3689436797161
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.889873083341449
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
891 -2.9871562 -1.8495105 -1.7718696
892 -2.9871562 -1.8495105 -1.8330488
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.302839982893
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.902523060548633
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.00726719538078
variable y0 equal ${yi}
variable y0 equal 0.00341384410857337
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 1.91512526909218
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y -0.054757344722756
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
892 -2.9871562 -1.8495105 -1.8330488
893 -2.9871562 -1.8495105 -1.7956895
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.00726719538078
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 0.00341384410857337
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.36479252655717
variable y0 equal ${yi}
variable y0 equal 7.37975311603808
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.37078342516633
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.47192827787661
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
893 -2.9871562 -1.8495105 -1.7956895
894 -2.9871562 -1.8495105 -1.6915763
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.36479252655717
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.37975311603808
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.9486086213523
variable y0 equal ${yi}
variable y0 equal 6.50839406982889
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.87741336464225
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.4556893421792
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
894 -2.9871562 -1.8495105 -1.6915763
895 -2.9871562 -1.8495105 -1.8563081
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.85630807294211
variable naccept equal ${increment}
variable naccept equal 271
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 7.9432972490678
variable y0 equal ${yi}
variable y0 equal 2.61277595731118
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.03611046670772
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.66520280810693
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
895 -2.9871562 -1.8563081 -1.8563081
896 -2.9871562 -1.8563081 -1.898889
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.898889046044
variable naccept equal ${increment}
variable naccept equal 272
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.06611787675716
variable y0 equal ${yi}
variable y0 equal 4.67376009577678
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.10189970134594
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.6733581578152
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
896 -2.9871562 -1.898889 -1.898889
897 -2.9871562 -1.898889 -1.9044415
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.90444152364981
variable naccept equal ${increment}
variable naccept equal 273
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.23490547338391
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.4095374139812
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
897 -2.9871562 -1.9044415 -1.9044415
898 -2.9871562 -1.9044415 -1.8238942
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.55546174207155
variable y0 equal ${yi}
variable y0 equal 5.67337435429292
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.53715084948961
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.65096529667573
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
898 -2.9871562 -1.9044415 -1.8238942
899 -2.9871562 -1.9044415 -1.9034727
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.55546174207155
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67337435429292
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31064851680662
variable y0 equal ${yi}
variable y0 equal 1.91864991567201
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.31822384992506
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.99991759440965
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
899 -2.9871562 -1.9044415 -1.9034727
900 -2.9871562 -1.9044415 -1.8879259
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31064851680662
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.91864991567201
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.19226642608205
variable y0 equal ${yi}
variable y0 equal 1.99900682351654
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.2535330629305
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 2.05843172452515
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
900 -2.9871562 -1.9044415 -1.8879259
901 -2.9871562 -1.9044415 -1.8895205
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.19226642608205
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.99900682351654
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.61125521540423
variable y0 equal ${yi}
variable y0 equal 4.63791933411523
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.55263628840228
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.61806922310754
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
901 -2.9871562 -1.9044415 -1.8895205
902 -2.9871562 -1.9044415 -1.8894347
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.61125521540423
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.63791933411523
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.57181516766329
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.41880447782573
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
902 -2.9871562 -1.9044415 -1.8894347
903 -2.9871562 -1.9044415 -1.9013203
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1148146752378
variable y0 equal ${yi}
variable y0 equal 4.54698911065027
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.2080372814199
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.58732729309961
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
903 -2.9871562 -1.9044415 -1.9013203
904 -2.9871562 -1.9044415 -1.8921253
Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.1148146752378
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.54698911065027
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.75239680647192
variable y0 equal ${yi}
variable y0 equal 8.22711012281474
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.77716802000341
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.29469001211223
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
904 -2.9871562 -1.9044415 -1.8921253
905 -2.9871562 -1.9044415 -1.96883
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.96882999923653
variable naccept equal ${increment}
variable naccept equal 274
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.67562869985534
variable y0 equal ${yi}
variable y0 equal 0.952592285383071
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.72335403163863
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 1.00596850703987
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
905 -2.9871562 -1.96883 -1.96883
906 -2.9871562 -1.96883 -1.9584192
Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.67562869985534
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.952592285383071
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.49823891638834
variable y0 equal ${yi}
variable y0 equal 3.73309955163132
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.50184303044397
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.70548086924683
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
906 -2.9871562 -1.96883 -1.9584192
907 -2.9871562 -1.96883 -1.9651462
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.49823891638834
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.73309955163132
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.96819095888778
variable y0 equal ${yi}
variable y0 equal 2.85498608323434
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 7.00566191950485
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.75901733609536
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
907 -2.9871562 -1.96883 -1.9651462
908 -2.9871562 -1.96883 -1.9380834
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.96819095888778
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.85498608323434
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.07315314093276
variable y0 equal ${yi}
variable y0 equal 4.61574550026819
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.10430413761779
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.63864480608865
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
908 -2.9871562 -1.96883 -1.9380834
909 -2.9871562 -1.96883 -1.9581143
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.07315314093276
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.61574550026819
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.36479252655717
variable y0 equal ${yi}
variable y0 equal 7.37975311603808
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.40430182297441
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.34347770538592
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
909 -2.9871562 -1.96883 -1.9581143
910 -2.9871562 -1.96883 -1.9305019
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.36479252655717
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.37975311603808
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.79539506910918
variable y0 equal ${yi}
variable y0 equal 7.31491797294879
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.8455915021765
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.25126606550479
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
910 -2.9871562 -1.96883 -1.9305019
911 -2.9871562 -1.96883 -1.9345922
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.79539506910918
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.31491797294879
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.14655829985791
variable y0 equal ${yi}
variable y0 equal 7.47608772840762
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.0809653671568
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.46382458534503
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
911 -2.9871562 -1.96883 -1.9345922
912 -2.9871562 -1.96883 -1.9738676
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.97386762752178
variable naccept equal ${increment}
variable naccept equal 275
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.62032703041811
variable y0 equal ${yi}
variable y0 equal 0.920044656503527
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.64134974360247
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.972303231466143
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
912 -2.9871562 -1.9738676 -1.9738676
913 -2.9871562 -1.9738676 -1.9752551
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.97525508213883
variable naccept equal ${increment}
variable naccept equal 276
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.45333666641485
variable y0 equal ${yi}
variable y0 equal 0.0547606468200684
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.0335806965827942
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
913 -2.9871562 -1.9752551 -1.9752551
914 -2.9871562 -1.9752551 -1.9759005
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.9759004823869
variable naccept equal ${increment}
variable naccept equal 277
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.10336983839379
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.81754927201402
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
914 -2.9871562 -1.9759005 -1.9759005
915 -2.9871562 -1.9759005 -1.9339211
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.29979468662949
variable y0 equal ${yi}
variable y0 equal 3.68506254716051
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.304910982444
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.59916743798387
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
915 -2.9871562 -1.9759005 -1.9339211
916 -2.9871562 -1.9759005 -1.8920455
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.29979468662949
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.68506254716051
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.49823891638834
variable y0 equal ${yi}
variable y0 equal 3.73309955163132
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.46294486044962
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.64447017474304
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
916 -2.9871562 -1.9759005 -1.8920455
917 -2.9871562 -1.9759005 -1.9356762
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.49823891638834
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.73309955163132
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 0.926390245754054
variable y0 equal ${yi}
variable y0 equal 9.23904097783893
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 0.826606264907649
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.16000170219272
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
917 -2.9871562 -1.9759005 -1.9356762
918 -2.9871562 -1.9759005 -1.8791969
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 3 x ${x0}
set atom 3 x 0.926390245754054
1 settings made for x
set atom $i y ${y0}
set atom 3 y ${y0}
set atom 3 y 9.23904097783893
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.03611046670772
variable y0 equal ${yi}
variable y0 equal 2.66520280810693
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.13470910190441
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.76480350467065
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
918 -2.9871562 -1.9759005 -1.8791969
919 -2.9871562 -1.9759005 -1.974497
Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.03611046670772
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.66520280810693
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.37491369961817
variable y0 equal ${yi}
variable y0 equal 7.49044490185045
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.32594456194956
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.5327549847629
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
919 -2.9871562 -1.9759005 -1.974497
920 -2.9871562 -1.9759005 -1.9562908
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.37491369961817
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.49044490185045
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.97472019155017
variable y0 equal ${yi}
variable y0 equal 6.60899307266703
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.92934083898059
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.62002104059687
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
920 -2.9871562 -1.9759005 -1.9562908
921 -2.9871562 -1.9759005 -1.9761373
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.97613733252864
variable naccept equal ${increment}
variable naccept equal 278
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.07315314093276
variable y0 equal ${yi}
variable y0 equal 4.61574550026819
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 6.97890646734878
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.54112321490213
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
921 -2.9871562 -1.9761373 -1.9761373
922 -2.9871562 -1.9761373 -1.9394616
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.07315314093276
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.61574550026819
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.48726125795614
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.016130006313324
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
922 -2.9871562 -1.9761373 -1.9394616
923 -2.9871562 -1.9761373 -1.9756706
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.96341886479846
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.7646158334861
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
923 -2.9871562 -1.9761373 -1.9756706
924 -2.9871562 -1.9761373 -1.82011
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.85332814427712
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.648263963049
variable y0 equal ${yi}
variable y0 equal 9.2079006861481
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.6009229858571
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.18416120517581
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
924 -2.9871562 -1.9761373 -1.82011
925 -2.9871562 -1.9761373 -1.9771175
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.97711745965933
variable naccept equal ${increment}
variable naccept equal 279
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.85786454001552
variable y0 equal ${yi}
variable y0 equal 2.82388043376306
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.83042392054683
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.90555106374124
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
925 -2.9871562 -1.9771175 -1.9771175
926 -2.9871562 -1.9771175 -1.9333512
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.85786454001552
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.82388043376306
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.27487992127152
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.60176452343661
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
926 -2.9871562 -1.9771175 -1.9333512
927 -2.9871562 -1.9771175 -1.9497774
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.37491369961817
variable y0 equal ${yi}
variable y0 equal 7.49044490185045
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.38809825896342
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.41847480860018
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
927 -2.9871562 -1.9771175 -1.9497774
928 -2.9871562 -1.9771175 -1.9489323
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.37491369961817
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.49044490185045
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.09670307079659
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.74115505976808
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
928 -2.9871562 -1.9771175 -1.9489323
929 -2.9871562 -1.9771175 -1.9380407
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.00726719538078
variable y0 equal ${yi}
variable y0 equal 0.00341384410857337
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.09918585459099
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y -0.0787360072136007
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
929 -2.9871562 -1.9771175 -1.9380407
930 -2.9871562 -1.9771175 -1.9717239
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.00726719538078
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 0.00341384410857337
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.79614609995967
variable y0 equal ${yi}
variable y0 equal 6.5482283546113
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.7935756377328
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.64798465506067
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
930 -2.9871562 -1.9771175 -1.9717239
931 -2.9871562 -1.9771175 -1.9345421
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.79614609995967
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.5482283546113
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.49348578610842
variable y0 equal ${yi}
variable y0 equal 1.80821938893861
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.51644313493197
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.73499640605516
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
931 -2.9871562 -1.9771175 -1.9345421
932 -2.9871562 -1.9771175 -1.9451163
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 37 x ${x0}
set atom 37 x 8.49348578610842
1 settings made for x
set atom $i y ${y0}
set atom 37 y ${y0}
set atom 37 y 1.80821938893861
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.8845204738681
variable y0 equal ${yi}
variable y0 equal 1.04688491414817
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.89080204048797
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.962413962591011
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
932 -2.9871562 -1.9771175 -1.9451163
933 -2.9871562 -1.9771175 -1.9967227
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -1.99672271522063
variable naccept equal ${increment}
variable naccept equal 280
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 0.987933591205408
variable y0 equal ${yi}
variable y0 equal 5.5415678853293
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 0.947012272674372
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.55154130404192
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
933 -2.9871562 -1.9967227 -1.9967227
934 -2.9871562 -1.9967227 -1.9831504
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 63 x ${x0}
set atom 63 x 0.987933591205408
1 settings made for x
set atom $i y ${y0}
set atom 63 y ${y0}
set atom 63 y 5.5415678853293
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.1799755902961
variable y0 equal ${yi}
variable y0 equal 6.56346605555049
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.16654193121941
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.51635446087352
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
934 -2.9871562 -1.9967227 -1.9831504
935 -2.9871562 -1.9967227 -2.0008559
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.00085594255312
variable naccept equal ${increment}
variable naccept equal 281
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.20431806484566
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.82038443467683
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
935 -2.9871562 -2.0008559 -2.0008559
936 -2.9871562 -2.0008559 -1.9840353
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68808116793414
variable y0 equal ${yi}
variable y0 equal 6.45315314070217
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.64526860594531
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.41764770285122
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
936 -2.9871562 -2.0008559 -1.9840353
937 -2.9871562 -2.0008559 -1.9820762
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68808116793414
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.45315314070217
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.76742996175719
variable y0 equal ${yi}
variable y0 equal 8.37876136220989
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.73339517314864
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.40177918590603
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
937 -2.9871562 -2.0008559 -1.9820762
938 -2.9871562 -2.0008559 -2.0097745
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.0097744768316
variable naccept equal ${increment}
variable naccept equal 282
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1817926649114
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.88217049809793
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
938 -2.9871562 -2.0097745 -2.0097745
939 -2.9871562 -2.0097745 -1.9986705
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.78276804658273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.34766563891488
variable y0 equal ${yi}
variable y0 equal 0.0114601254463231
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.36779002665597
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 0.0310999035835302
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
939 -2.9871562 -2.0097745 -1.9986705
940 -2.9871562 -2.0097745 -2.0105193
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.01051930844619
variable naccept equal ${increment}
variable naccept equal 283
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.62844499507372
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.39608570661808
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
940 -2.9871562 -2.0105193 -2.0105193
941 -2.9871562 -2.0105193 -2.0066773
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78193971434718
variable y0 equal ${yi}
variable y0 equal 8.31736352361736
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.84608986893779
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.27020299352703
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
941 -2.9871562 -2.0105193 -2.0066773
942 -2.9871562 -2.0105193 -1.9758708
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78193971434718
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.31736352361736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.11236243842937
variable y0 equal ${yi}
variable y0 equal 8.24853718198832
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.10710121988155
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.30234856523569
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
942 -2.9871562 -2.0105193 -1.9758708
943 -2.9871562 -2.0105193 -2.0096438
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.11236243842937
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.24853718198832
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31064851680662
variable y0 equal ${yi}
variable y0 equal 1.91864991567201
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.25247627893354
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.84631522080964
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
943 -2.9871562 -2.0105193 -2.0096438
944 -2.9871562 -2.0105193 -1.9487119
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31064851680662
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.91864991567201
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07676643450909
variable y0 equal ${yi}
variable y0 equal 1.85376013896531
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 0.989978400070003
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.847405151344
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
944 -2.9871562 -2.0105193 -1.9487119
945 -2.9871562 -2.0105193 -1.9554443
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.07676643450909
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.85376013896531
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.43885856071379
variable y0 equal ${yi}
variable y0 equal 5.558475553443
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.45408050218489
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.46100592558579
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
945 -2.9871562 -2.0105193 -1.9554443
946 -2.9871562 -2.0105193 -1.9989917
Loop time of 4.31538e-05 on 1 procs for 1 steps with 100 atoms
2317.3% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.43885856071379
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.558475553443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.95269535421668
variable y0 equal ${yi}
variable y0 equal 4.50253551358148
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 5.04309845804511
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.52357330674096
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
946 -2.9871562 -2.0105193 -1.9989917
947 -2.9871562 -2.0105193 -1.957661
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.95269535421668
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.50253551358148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.9899615760564
variable y0 equal ${yi}
variable y0 equal 4.5907792245762
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.98771724660389
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.55275007838174
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
947 -2.9871562 -2.0105193 -1.957661
948 -2.9871562 -2.0105193 -1.9934779
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.9899615760564
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.5907792245762
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 0.926390245754054
variable y0 equal ${yi}
variable y0 equal 9.23904097783893
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 0.871991947490504
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.14019599664539
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
948 -2.9871562 -2.0105193 -1.9934779
949 -2.9871562 -2.0105193 -1.9527125
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 3 x ${x0}
set atom 3 x 0.926390245754054
1 settings made for x
set atom $i y ${y0}
set atom 3 y ${y0}
set atom 3 y 9.23904097783893
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.55546174207155
variable y0 equal ${yi}
variable y0 equal 5.67337435429292
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.60061494269792
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.59898523037629
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
949 -2.9871562 -2.0105193 -1.9527125
950 -2.9871562 -2.0105193 -1.9184963
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.55546174207155
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67337435429292
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1610254410764
variable y0 equal ${yi}
variable y0 equal 8.2609955064207
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1866167191526
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.29240183748302
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
950 -2.9871562 -2.0105193 -1.9184963
951 -2.9871562 -2.0105193 -2.0075633
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.1610254410764
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.2609955064207
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.61125521540423
variable y0 equal ${yi}
variable y0 equal 4.63791933411523
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.6141591179349
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.62077691906854
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
951 -2.9871562 -2.0105193 -2.0075633
952 -2.9871562 -2.0105193 -2.0055136
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.61125521540423
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.63791933411523
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.85786454001552
variable y0 equal ${yi}
variable y0 equal 2.82388043376306
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.88968325177318
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.90741187306741
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
952 -2.9871562 -2.0105193 -2.0055136
953 -2.9871562 -2.0105193 -1.9155082
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.85786454001552
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.82388043376306
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.12744101880885
variable y0 equal ${yi}
variable y0 equal 6.56631985441675
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.13395232557155
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.60246086851587
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
953 -2.9871562 -2.0105193 -1.9155082
954 -2.9871562 -2.0105193 -2.0009361
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.12744101880885
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.56631985441675
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.16308992821724
variable y0 equal ${yi}
variable y0 equal 8.28462620891627
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.09553720671684
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.19967361606654
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
954 -2.9871562 -2.0105193 -2.0009361
955 -2.9871562 -2.0105193 -1.95267
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 98 x ${x0}
set atom 98 x 9.16308992821724
1 settings made for x
set atom $i y ${y0}
set atom 98 y ${y0}
set atom 98 y 8.28462620891627
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89080204048797
variable y0 equal ${yi}
variable y0 equal 0.962413962591011
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.91170749941513
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 1.04060622047218
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
955 -2.9871562 -2.0105193 -1.95267
956 -2.9871562 -2.0105193 -1.981478
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.89080204048797
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.962413962591011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.43141517479192
variable y0 equal ${yi}
variable y0 equal 5.56478210632998
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.45180635292302
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.48564268295962
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
956 -2.9871562 -2.0105193 -1.981478
957 -2.9871562 -2.0105193 -1.9913186
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 75 x ${x0}
set atom 75 x 7.43141517479192
1 settings made for x
set atom $i y ${y0}
set atom 75 y ${y0}
set atom 75 y 5.56478210632998
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.55546174207155
variable y0 equal ${yi}
variable y0 equal 5.67337435429292
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.54711809316103
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.64299418871599
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
957 -2.9871562 -2.0105193 -1.9913186
958 -2.9871562 -2.0105193 -2.0054764
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.55546174207155
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67337435429292
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.3118768103859
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.48518830483157
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
958 -2.9871562 -2.0105193 -2.0054764
959 -2.9871562 -2.0105193 -2.0016175
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.41471889097901
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.61577713434894
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
959 -2.9871562 -2.0105193 -2.0016175
960 -2.9871562 -2.0105193 -1.9839583
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1610254410764
variable y0 equal ${yi}
variable y0 equal 8.2609955064207
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1767694000264
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.21905875124034
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
960 -2.9871562 -2.0105193 -1.9839583
961 -2.9871562 -2.0105193 -2.0029981
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.1610254410764
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.2609955064207
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.31808795690099
variable y0 equal ${yi}
variable y0 equal 5.6091846699019
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.40796824454824
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.68428611700731
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
961 -2.9871562 -2.0105193 -2.0029981
962 -2.9871562 -2.0105193 -1.96177
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.31808795690099
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.6091846699019
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.67562869985534
variable y0 equal ${yi}
variable y0 equal 0.952592285383071
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.74599224527313
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 1.03324409316811
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
962 -2.9871562 -2.0105193 -1.96177
963 -2.9871562 -2.0105193 -1.9898852
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.67562869985534
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.952592285383071
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54407576480333
variable y0 equal ${yi}
variable y0 equal 3.66106940074097
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.49197681107942
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.56451725525986
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
963 -2.9871562 -2.0105193 -1.9898852
964 -2.9871562 -2.0105193 -1.9969219
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.54407576480333
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.66106940074097
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.5584432379288
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.33544211712146
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
964 -2.9871562 -2.0105193 -1.9969219
965 -2.9871562 -2.0105193 -1.9239203
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.22802682558404
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.86245326182908
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
965 -2.9871562 -2.0105193 -1.9239203
966 -2.9871562 -2.0105193 -1.9950277
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.03611046670772
variable y0 equal ${yi}
variable y0 equal 2.66520280810693
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.09307445882656
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.61020187112191
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
966 -2.9871562 -2.0105193 -1.9950277
967 -2.9871562 -2.0105193 -1.9468985
Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.03611046670772
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.66520280810693
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78193971434718
variable y0 equal ${yi}
variable y0 equal 8.31736352361736
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.87311658183223
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.271596025601
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
967 -2.9871562 -2.0105193 -1.9468985
968 -2.9871562 -2.0105193 -1.9475407
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78193971434718
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.31736352361736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.71175088165876
variable y0 equal ${yi}
variable y0 equal 5.71374509279924
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.68903712509748
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.63455642407136
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
968 -2.9871562 -2.0105193 -1.9475407
969 -2.9871562 -2.0105193 -1.977876
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.71175088165876
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.71374509279924
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.77716802000341
variable y0 equal ${yi}
variable y0 equal 8.29469001211223
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.6803130233222
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.20836156524715
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
969 -2.9871562 -2.0105193 -1.977876
970 -2.9871562 -2.0105193 -1.857719
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.77716802000341
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.29469001211223
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.10840386787759
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.42985259619021
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
970 -2.9871562 -2.0105193 -1.857719
971 -2.9871562 -2.0105193 -2.0080662
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.67562869985534
variable y0 equal ${yi}
variable y0 equal 0.952592285383071
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.69106418092681
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.920749815214004
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
971 -2.9871562 -2.0105193 -2.0080662
972 -2.9871562 -2.0105193 -2.0111912
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.01119119691954
variable naccept equal ${increment}
variable naccept equal 284
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.07640002409326
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.45957515564227
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
972 -2.9871562 -2.0111912 -2.0111912
973 -2.9871562 -2.0111912 -1.9976884
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.66311051726122
variable y0 equal ${yi}
variable y0 equal 2.84872870417932
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.69490927338381
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.90885456773141
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
973 -2.9871562 -2.0111912 -1.9976884
974 -2.9871562 -2.0111912 -1.9844613
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.66311051726122
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.84872870417932
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.0809653671568
variable y0 equal ${yi}
variable y0 equal 7.46382458534503
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.08855005820447
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.51366689529681
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
974 -2.9871562 -2.0111912 -1.9844613
975 -2.9871562 -2.0111912 -2.0063313
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.0809653671568
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.46382458534503
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.82787996728849
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.67938236349984
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
975 -2.9871562 -2.0111912 -2.0063313
976 -2.9871562 -2.0111912 -1.9781597
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1610254410764
variable y0 equal ${yi}
variable y0 equal 8.2609955064207
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1895380620023
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.21165978826579
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
976 -2.9871562 -2.0111912 -1.9781597
977 -2.9871562 -2.0111912 -2.0007475
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.1610254410764
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.2609955064207
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.29979468662949
variable y0 equal ${yi}
variable y0 equal 3.68506254716051
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.28454213221283
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.67393827004564
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
977 -2.9871562 -2.0111912 -2.0007475
978 -2.9871562 -2.0111912 -2.0026169
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.29979468662949
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.68506254716051
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.40123975673582
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0143717408180212
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
978 -2.9871562 -2.0111912 -2.0026169
979 -2.9871562 -2.0111912 -1.9976201
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.64134974360247
variable y0 equal ${yi}
variable y0 equal 0.972303231466143
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.61369351029177
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.934760852563708
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
979 -2.9871562 -2.0111912 -1.9976201
980 -2.9871562 -2.0111912 -2.0103029
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.64134974360247
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.972303231466143
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.87741336464225
variable y0 equal ${yi}
variable y0 equal 6.4556893421792
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.93757978319465
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.49856401220789
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
980 -2.9871562 -2.0111912 -2.0103029
981 -2.9871562 -2.0111912 -2.0015759
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.87741336464225
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.4556893421792
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.6009229858571
variable y0 equal ${yi}
variable y0 equal 9.18416120517581
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.5994419654065
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.28280647504657
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
981 -2.9871562 -2.0111912 -2.0015759
982 -2.9871562 -2.0111912 -2.0037555
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.6009229858571
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.18416120517581
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.76206280509119
variable y0 equal ${yi}
variable y0 equal 4.61360334509775
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.73812462607508
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.6841193711178
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
982 -2.9871562 -2.0111912 -2.0037555
983 -2.9871562 -2.0111912 -2.0029308
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.76206280509119
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.61360334509775
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.50922893682385
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.69054728312623
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
983 -2.9871562 -2.0111912 -2.0029308
984 -2.9871562 -2.0111912 -2.0055099
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.61125521540423
variable y0 equal ${yi}
variable y0 equal 4.63791933411523
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.68076303357049
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
984 -2.9871562 -2.0111912 -2.0055099
985 -2.9871562 -2.0111912 -2.0153969
Loop time of 4.31538e-05 on 1 procs for 1 steps with 100 atoms
2317.3% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.01539686685533
variable naccept equal ${increment}
variable naccept equal 285
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.38220358927023
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.0202989220619202
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
985 -2.9871562 -2.0153969 -2.0153969
986 -2.9871562 -2.0153969 -1.9993034
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.45040792066824
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.116819703578949
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
986 -2.9871562 -2.0153969 -1.9993034
987 -2.9871562 -2.0153969 -1.9929077
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.16654193121941
variable y0 equal ${yi}
variable y0 equal 6.51635446087352
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.07657171208412
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.59827667013637
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
987 -2.9871562 -2.0153969 -1.9929077
988 -2.9871562 -2.0153969 -1.9564206
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.16654193121941
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.51635446087352
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.454765839973354
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.70701327296594
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
988 -2.9871562 -2.0153969 -1.9564206
989 -2.9871562 -2.0153969 -1.9472217
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.76206280509119
variable y0 equal ${yi}
variable y0 equal 4.61360334509775
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.68405063668375
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.54020746106073
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
989 -2.9871562 -2.0153969 -1.9472217
990 -2.9871562 -2.0153969 -1.9408568
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2436.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.76206280509119
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.61360334509775
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.43141517479192
variable y0 equal ${yi}
variable y0 equal 5.56478210632998
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.51190109092961
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.64376431648928
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
990 -2.9871562 -2.0153969 -1.9408568
991 -2.9871562 -2.0153969 -2.0182852
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.01828519388715
variable naccept equal ${increment}
variable naccept equal 286
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.33299971897813
variable y0 equal ${yi}
variable y0 equal 1.87642453095979
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.37249472220155
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.93929486653871
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
991 -2.9871562 -2.0182852 -2.0182852
992 -2.9871562 -2.0182852 -2.0061118
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.33299971897813
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.87642453095979
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.76206280509119
variable y0 equal ${yi}
variable y0 equal 4.61360334509775
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.71444997111444
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.53325893038675
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
992 -2.9871562 -2.0182852 -2.0061118
993 -2.9871562 -2.0182852 -1.9639339
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.76206280509119
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.61360334509775
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.37088978130592
variable y0 equal ${yi}
variable y0 equal 1.86757599494523
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.28835247595085
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.93444654128617
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
993 -2.9871562 -2.0182852 -1.9639339
994 -2.9871562 -2.0182852 -1.9307029
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 35 x ${x0}
set atom 35 x 7.37088978130592
1 settings made for x
set atom $i y ${y0}
set atom 35 y ${y0}
set atom 35 y 1.86757599494523
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.23430073896752
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.88538163087434
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
994 -2.9871562 -2.0182852 -1.9307029
995 -2.9871562 -2.0182852 -2.0014678
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.07315314093276
variable y0 equal ${yi}
variable y0 equal 4.61574550026819
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.01321409025832
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.53823720568582
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
995 -2.9871562 -2.0182852 -2.0014678
996 -2.9871562 -2.0182852 -1.9856193
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.07315314093276
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.61574550026819
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.14132251460106
variable y0 equal ${yi}
variable y0 equal 4.91687022799417
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.12651166636497
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.91072322482034
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
996 -2.9871562 -2.0182852 -1.9856193
997 -2.9871562 -2.0182852 -2.0203928
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.02039275958247
variable naccept equal ${increment}
variable naccept equal 287
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1148146752378
variable y0 equal ${yi}
variable y0 equal 4.54698911065027
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.0525232318899
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.52837975377008
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
997 -2.9871562 -2.0203928 -2.0203928
998 -2.9871562 -2.0203928 -2.0028725
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.1148146752378
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.54698911065027
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.12744101880885
variable y0 equal ${yi}
variable y0 equal 6.56631985441675
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.14934177993632
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.48619654909601
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
998 -2.9871562 -2.0203928 -2.0028725
999 -2.9871562 -2.0203928 -1.9762711
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.12744101880885
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.56631985441675
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.17293971497565
variable y0 equal ${yi}
variable y0 equal 2.77695646258691
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.18323485571891
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.84362585517266
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
999 -2.9871562 -2.0203928 -1.9762711
1000 -2.9871562 -2.0203928 -1.9835827
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.17293971497565
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.77695646258691
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.83310471732608
variable y0 equal ${yi}
variable y0 equal 8.3484317771345
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.85192655284396
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.2920795909315
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1000 -2.9871562 -2.0203928 -1.9835827
1001 -2.9871562 -2.0203928 -1.9943288
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.83310471732608
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.3484317771345
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1610254410764
variable y0 equal ${yi}
variable y0 equal 8.2609955064207
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1997180942556
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.34496824659404
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1001 -2.9871562 -2.0203928 -1.9943288
1002 -2.9871562 -2.0203928 -1.9908438
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.1610254410764
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.2609955064207
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.12651166636497
variable y0 equal ${yi}
variable y0 equal 4.91072322482034
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.08689599949867
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.81755102032586
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1002 -2.9871562 -2.0203928 -1.9908438
1003 -2.9871562 -2.0203928 -2.0462053
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.0462052611432
variable naccept equal ${increment}
variable naccept equal 288
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 0.926390245754054
variable y0 equal ${yi}
variable y0 equal 9.23904097783893
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 0.874914744693568
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.21546940315097
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1003 -2.9871562 -2.0462053 -2.0462053
1004 -2.9871562 -2.0462053 -2.0318441
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 3 x ${x0}
set atom 3 x 0.926390245754054
1 settings made for x
set atom $i y ${y0}
set atom 3 y ${y0}
set atom 3 y 9.23904097783893
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.87741336464225
variable y0 equal ${yi}
variable y0 equal 6.4556893421792
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.87644710182487
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.36425277725687
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1004 -2.9871562 -2.0462053 -2.0318441
1005 -2.9871562 -2.0462053 -2.0209287
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.87741336464225
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.4556893421792
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.66311051726122
variable y0 equal ${yi}
variable y0 equal 2.84872870417932
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.68909932255526
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.76107822629312
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1005 -2.9871562 -2.0462053 -2.0209287
1006 -2.9871562 -2.0462053 -2.0383307
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.66311051726122
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.84872870417932
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.63759555974429
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.39139666881824
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1006 -2.9871562 -2.0462053 -2.0383307
1007 -2.9871562 -2.0462053 -2.0435715
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.95269535421668
variable y0 equal ${yi}
variable y0 equal 4.50253551358148
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.97187389969169
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.50596614235803
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1007 -2.9871562 -2.0462053 -2.0435715
1008 -2.9871562 -2.0462053 -2.0388376
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.95269535421668
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.50253551358148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.614764948287868
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.86428352567056
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1008 -2.9871562 -2.0462053 -2.0388376
1009 -2.9871562 -2.0462053 -2.0376496
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.23062159458504
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.87301285646028
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1009 -2.9871562 -2.0462053 -2.0376496
1010 -2.9871562 -2.0462053 -2.0317141
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.94066793560325
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.92621511193612
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1010 -2.9871562 -2.0462053 -2.0317141
1011 -2.9871562 -2.0462053 -2.0197418
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.85868977280953
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.6009229858571
variable y0 equal ${yi}
variable y0 equal 9.18416120517581
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.6484374483281
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.18040676820605
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1011 -2.9871562 -2.0462053 -2.0197418
1012 -2.9871562 -2.0462053 -2.0408073
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.6009229858571
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.18416120517581
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.0809653671568
variable y0 equal ${yi}
variable y0 equal 7.46382458534503
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.08722542842084
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.37323065128589
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1012 -2.9871562 -2.0462053 -2.0408073
1013 -2.9871562 -2.0462053 -2.0273178
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.0809653671568
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.46382458534503
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.51275517780553
variable y0 equal ${yi}
variable y0 equal 3.68194531960619
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.57453483183156
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.78015425963533
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1013 -2.9871562 -2.0462053 -2.0273178
1014 -2.9871562 -2.0462053 -2.0337976
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.51275517780553
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.68194531960619
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.6009229858571
variable y0 equal ${yi}
variable y0 equal 9.18416120517581
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.694946010893
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.27294996488421
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1014 -2.9871562 -2.0462053 -2.0337976
1015 -2.9871562 -2.0462053 -2.0335136
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.6009229858571
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.18416120517581
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.463221640983487
variable y0 equal ${yi}
variable y0 equal 4.61717816943094
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.375024362007047
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.59845900887415
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1015 -2.9871562 -2.0462053 -2.0335136
1016 -2.9871562 -2.0462053 -2.0157614
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 42 x ${x0}
set atom 42 x 0.463221640983487
1 settings made for x
set atom $i y ${y0}
set atom 42 y ${y0}
set atom 42 y 4.61717816943094
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.65425684650373
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.61223061436578
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1016 -2.9871562 -2.0462053 -2.0157614
1017 -2.9871562 -2.0462053 -2.0275836
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 0.987933591205408
variable y0 equal ${yi}
variable y0 equal 5.5415678853293
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 0.918518808681299
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.53309304659563
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1017 -2.9871562 -2.0462053 -2.0275836
1018 -2.9871562 -2.0462053 -2.0249421
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 63 x ${x0}
set atom 63 x 0.987933591205408
1 settings made for x
set atom $i y ${y0}
set atom 63 y ${y0}
set atom 63 y 5.5415678853293
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.36779002665597
variable y0 equal ${yi}
variable y0 equal 0.0310999035835302
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 0.00304889678955437
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1018 -2.9871562 -2.0462053 -2.0249421
1019 -2.9871562 -2.0462053 -2.047132
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.04713204179555
variable naccept equal ${increment}
variable naccept equal 289
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.79055209358168
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.69179975146218
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1019 -2.9871562 -2.047132 -2.047132
1020 -2.9871562 -2.047132 -2.0357332
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.83310471732608
variable y0 equal ${yi}
variable y0 equal 8.3484317771345
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.83711441714755
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.26126304782923
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1020 -2.9871562 -2.047132 -2.0357332
1021 -2.9871562 -2.047132 -1.9942867
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.83310471732608
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.3484317771345
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07676643450909
variable y0 equal ${yi}
variable y0 equal 1.85376013896531
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.07343188841992
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.85961672446793
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1021 -2.9871562 -2.047132 -1.9942867
1022 -2.9871562 -2.047132 -2.0478716
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.04787158397693
variable naccept equal ${increment}
variable naccept equal 290
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.19986015001641
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.49672150936389
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1022 -2.9871562 -2.0478716 -2.0478716
1023 -2.9871562 -2.0478716 -2.0376314
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.31808795690099
variable y0 equal ${yi}
variable y0 equal 5.6091846699019
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.21882955789129
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.57611442749696
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1023 -2.9871562 -2.0478716 -2.0376314
1024 -2.9871562 -2.0478716 -2.0388421
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.31808795690099
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.6091846699019
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.609000296989348
variable y0 equal ${yi}
variable y0 equal 0.984621043908919
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.570630665222075
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.909747691858138
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1024 -2.9871562 -2.0478716 -2.0388421
1025 -2.9871562 -2.0478716 -2.0572344
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.05723441696553
variable naccept equal ${increment}
variable naccept equal 291
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.89360781310894
variable y0 equal ${yi}
variable y0 equal 0.970815511453479
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.8691863238702
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.954155464876025
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1025 -2.9871562 -2.0572344 -2.0572344
1026 -2.9871562 -2.0572344 -2.0505089
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.89360781310894
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.970815511453479
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.6911063273601
variable y0 equal ${yi}
variable y0 equal 5.45732250158982
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.6307479341678
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.36707913820939
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1026 -2.9871562 -2.0572344 -2.0505089
1027 -2.9871562 -2.0572344 -2.0198677
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 10.6911063273601
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.45732250158982
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.76206280509119
variable y0 equal ${yi}
variable y0 equal 4.61360334509775
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.68035457650309
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.62961436861917
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1027 -2.9871562 -2.0572344 -2.0198677
1028 -2.9871562 -2.0572344 -2.0194242
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.76206280509119
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.61360334509775
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.0809653671568
variable y0 equal ${yi}
variable y0 equal 7.46382458534503
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.11815181096249
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.44427507248187
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1028 -2.9871562 -2.0572344 -2.0194242
1029 -2.9871562 -2.0572344 -2.0574394
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.05743935608187
variable naccept equal ${increment}
variable naccept equal 292
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.79614609995967
variable y0 equal ${yi}
variable y0 equal 6.5482283546113
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.80623258868343
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.50073292986383
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1029 -2.9871562 -2.0574394 -2.0574394
1030 -2.9871562 -2.0574394 -2.05975
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.05975000669786
variable naccept equal ${increment}
variable naccept equal 293
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.85786454001552
variable y0 equal ${yi}
variable y0 equal 2.82388043376306
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.90687113324291
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.91485160561899
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1030 -2.9871562 -2.05975 -2.05975
1031 -2.9871562 -2.05975 -1.9280184
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.85786454001552
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.82388043376306
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.40621244429666
variable y0 equal ${yi}
variable y0 equal 2.0462150373227
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.4458763790043
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 2.00422748706406
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1031 -2.9871562 -2.05975 -1.9280184
1032 -2.9871562 -2.05975 -2.060616
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.06061602406225
variable naccept equal ${increment}
variable naccept equal 294
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.16654193121941
variable y0 equal ${yi}
variable y0 equal 6.51635446087352
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.20481869895012
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.59897087351314
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1032 -2.9871562 -2.060616 -2.060616
1033 -2.9871562 -2.060616 -2.0318231
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.16654193121941
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.51635446087352
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89080204048797
variable y0 equal ${yi}
variable y0 equal 0.962413962591011
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.84295815506622
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.897591026532967
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1033 -2.9871562 -2.060616 -2.0318231
1034 -2.9871562 -2.060616 -2.0581496
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.89080204048797
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.962413962591011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.11815181096249
variable y0 equal ${yi}
variable y0 equal 7.44427507248187
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.05003204663449
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.36549614992404
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1034 -2.9871562 -2.060616 -2.0581496
1035 -2.9871562 -2.060616 -2.0246971
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.11815181096249
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.44427507248187
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.89360781310894
variable y0 equal ${yi}
variable y0 equal 0.970815511453479
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.94788476823666
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.961742587793201
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1035 -2.9871562 -2.060616 -2.0246971
1036 -2.9871562 -2.060616 -2.059647
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.89360781310894
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.970815511453479
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.64134974360247
variable y0 equal ${yi}
variable y0 equal 0.972303231466143
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.73805127024432
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 1.00847537111077
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1036 -2.9871562 -2.060616 -2.059647
1037 -2.9871562 -2.060616 -2.0159369
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.64134974360247
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.972303231466143
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.9899615760564
variable y0 equal ${yi}
variable y0 equal 4.5907792245762
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 6.06147515733234
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.5139977371113
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1037 -2.9871562 -2.060616 -2.0159369
1038 -2.9871562 -2.060616 -1.9831519
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.9899615760564
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.5907792245762
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.463221640983487
variable y0 equal ${yi}
variable y0 equal 4.61717816943094
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.497564132610227
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.54773588532373
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1038 -2.9871562 -2.060616 -1.9831519
1039 -2.9871562 -2.060616 -2.0577781
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 42 x ${x0}
set atom 42 x 0.463221640983487
1 settings made for x
set atom $i y ${y0}
set atom 42 y ${y0}
set atom 42 y 4.61717816943094
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.40103450218107
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.00890159606933345
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1039 -2.9871562 -2.060616 -2.0577781
1040 -2.9871562 -2.060616 -2.0571266
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.55546174207155
variable y0 equal ${yi}
variable y0 equal 5.67337435429292
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.59749107518617
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.74558139984804
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1040 -2.9871562 -2.060616 -2.0571266
1041 -2.9871562 -2.060616 -2.0275684
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.55546174207155
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67337435429292
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.11236243842937
variable y0 equal ${yi}
variable y0 equal 8.24853718198832
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.13868210910656
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.32543376602229
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1041 -2.9871562 -2.060616 -2.0275684
1042 -2.9871562 -2.060616 -2.0346531
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.11236243842937
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.24853718198832
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.64134974360247
variable y0 equal ${yi}
variable y0 equal 0.972303231466143
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.64773430704851
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.951317544687121
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1042 -2.9871562 -2.060616 -2.0346531
1043 -2.9871562 -2.060616 -2.0600398
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.64134974360247
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.972303231466143
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.92934083898059
variable y0 equal ${yi}
variable y0 equal 6.62002104059687
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.89192678887836
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.66022809282771
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1043 -2.9871562 -2.060616 -2.0600398
1044 -2.9871562 -2.060616 -2.0415873
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.92934083898059
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.62002104059687
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.69972850839224
variable y0 equal ${yi}
variable y0 equal 6.49726980463495
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.632409425178434
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.5492800547265
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1044 -2.9871562 -2.060616 -2.0415873
1045 -2.9871562 -2.060616 -2.058479
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.69972850839224
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.49726980463495
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.91249088882743
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.79413495036461
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1045 -2.9871562 -2.060616 -2.058479
1046 -2.9871562 -2.060616 -2.0462093
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.85868977280953
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.56881023803179
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.40570235576893
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1046 -2.9871562 -2.060616 -2.0462093
1047 -2.9871562 -2.060616 -2.034963
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.71175088165876
variable y0 equal ${yi}
variable y0 equal 5.71374509279924
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.6211267638075
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.72023855393129
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1047 -2.9871562 -2.060616 -2.034963
1048 -2.9871562 -2.060616 -2.0344003
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.71175088165876
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.71374509279924
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.37491369961817
variable y0 equal ${yi}
variable y0 equal 7.49044490185045
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.28340316533167
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.56771014061235
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1048 -2.9871562 -2.060616 -2.0344003
1049 -2.9871562 -2.060616 -1.9856256
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.37491369961817
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.49044490185045
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.4458763790043
variable y0 equal ${yi}
variable y0 equal 2.00422748706406
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.35099447487909
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 1.92307773015564
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1049 -2.9871562 -2.060616 -1.9856256
1050 -2.9871562 -2.060616 -2.1066346
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.10663455577807
variable naccept equal ${increment}
variable naccept equal 295
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.81250222880832
variable y0 equal ${yi}
variable y0 equal 0.959874435174792
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.89968223531238
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.886041899431079
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1050 -2.9871562 -2.1066346 -2.1066346
1051 -2.9871562 -2.1066346 -2.1148382
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.11483818501849
variable naccept equal ${increment}
variable naccept equal 296
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.31255937336999
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y -0.0687830567359888
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1051 -2.9871562 -2.1148382 -2.1148382
1052 -2.9871562 -2.1148382 -2.1028406
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0322040319442937
variable y0 equal ${yi}
variable y0 equal 7.38692112293505
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x -0.0662989377975276
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.45963280525469
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1052 -2.9871562 -2.1148382 -2.1028406
1053 -2.9871562 -2.1148382 -2.0199061
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.38692112293505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31064851680662
variable y0 equal ${yi}
variable y0 equal 1.91864991567201
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.26392925182249
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.98057111880845
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1053 -2.9871562 -2.1148382 -2.0199061
1054 -2.9871562 -2.1148382 -2.072926
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31064851680662
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.91864991567201
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.07315314093276
variable y0 equal ${yi}
variable y0 equal 4.61574550026819
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.1071884182994
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.55617969387933
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1054 -2.9871562 -2.1148382 -2.072926
1055 -2.9871562 -2.1148382 -2.0899574
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.07315314093276
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.61574550026819
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.87741336464225
variable y0 equal ${yi}
variable y0 equal 6.4556893421792
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.82771694301902
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.49169163242807
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1055 -2.9871562 -2.1148382 -2.0899574
1056 -2.9871562 -2.1148382 -2.10587
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.87741336464225
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.4556893421792
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.18878640571939
variable y0 equal ${yi}
variable y0 equal 5.5354710811873
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.28666220346796
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.46728776638704
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1056 -2.9871562 -2.1148382 -2.10587
1057 -2.9871562 -2.1148382 -2.054627
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.18878640571939
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5354710811873
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.19276054540978
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.47491184797549
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1057 -2.9871562 -2.1148382 -2.054627
1058 -2.9871562 -2.1148382 -2.1110704
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.66067210634184
variable y0 equal ${yi}
variable y0 equal 2.84075683328011
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.67167732913923
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.85737189027169
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1058 -2.9871562 -2.1148382 -2.1110704
1059 -2.9871562 -2.1148382 -2.1173529
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.11735293311028
variable naccept equal ${increment}
variable naccept equal 297
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.85786454001552
variable y0 equal ${yi}
variable y0 equal 2.82388043376306
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.93199559966213
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.77928504916528
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1059 -2.9871562 -2.1173529 -2.1173529
1060 -2.9871562 -2.1173529 -2.0911543
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.85786454001552
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.82388043376306
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07343188841992
variable y0 equal ${yi}
variable y0 equal 1.85961672446793
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.04189253171139
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.91451200625962
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1060 -2.9871562 -2.1173529 -2.0911543
1061 -2.9871562 -2.1173529 -2.1037211
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.07343188841992
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.85961672446793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 0.0538676500320435
variable y0 equal ${yi}
variable y0 equal 1.89676245830125
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 0.0669886708259583
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.86074338338441
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1061 -2.9871562 -2.1173529 -2.1037211
1062 -2.9871562 -2.1173529 -2.1180935
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.11809351969209
variable naccept equal ${increment}
variable naccept equal 298
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.69972850839224
variable y0 equal ${yi}
variable y0 equal 6.49726980463495
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.713499279418851
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.50074466005792
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1062 -2.9871562 -2.1180935 -2.1180935
1063 -2.9871562 -2.1180935 -2.1136587
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.69972850839224
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.49726980463495
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.44781843502732
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.51419964974124
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1063 -2.9871562 -2.1180935 -2.1136587
1064 -2.9871562 -2.1180935 -2.1073313
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.2670327548048
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.68955758782724
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1064 -2.9871562 -2.1180935 -2.1073313
1065 -2.9871562 -2.1180935 -2.1085948
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.78276804658273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.11815181096249
variable y0 equal ${yi}
variable y0 equal 7.44427507248187
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.20560403187924
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.52915455427432
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1065 -2.9871562 -2.1180935 -2.1085948
1066 -2.9871562 -2.1180935 -2.0675174
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.11815181096249
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.44427507248187
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.16308992821724
variable y0 equal ${yi}
variable y0 equal 8.28462620891627
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.16770966965706
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.35893106378611
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1066 -2.9871562 -2.1180935 -2.0675174
1067 -2.9871562 -2.1180935 -2.1150662
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 98 x ${x0}
set atom 98 x 9.16308992821724
1 settings made for x
set atom $i y ${y0}
set atom 98 y ${y0}
set atom 98 y 8.28462620891627
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.49823891638834
variable y0 equal ${yi}
variable y0 equal 3.73309955163132
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.48537821292002
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.77371596856247
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1067 -2.9871562 -2.1180935 -2.1150662
1068 -2.9871562 -2.1180935 -2.1070197
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.49823891638834
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.73309955163132
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.87741336464225
variable y0 equal ${yi}
variable y0 equal 6.4556893421792
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.94320748686134
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.42626939550867
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1068 -2.9871562 -2.1180935 -2.1070197
1069 -2.9871562 -2.1180935 -2.1056769
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.87741336464225
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.4556893421792
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1610254410764
variable y0 equal ${yi}
variable y0 equal 8.2609955064207
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1109179023763
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.1708987227827
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1069 -2.9871562 -2.1180935 -2.1056769
1070 -2.9871562 -2.1180935 -2.0527492
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.1610254410764
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.2609955064207
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.42904138961697
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.82054955525529
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1070 -2.9871562 -2.1180935 -2.0527492
1071 -2.9871562 -2.1180935 -1.9156591
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.75404643018675
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.77387196177407
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1071 -2.9871562 -2.1180935 -1.9156591
1072 -2.9871562 -2.1180935 -2.0878248
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.35099447487909
variable y0 equal ${yi}
variable y0 equal 1.92307773015564
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.35121900557596
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 1.95760535380905
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1072 -2.9871562 -2.1180935 -2.0878248
1073 -2.9871562 -2.1180935 -2.1127167
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 33 x ${x0}
set atom 33 x 6.35099447487909
1 settings made for x
set atom $i y ${y0}
set atom 33 y ${y0}
set atom 33 y 1.92307773015564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.6911063273601
variable y0 equal ${yi}
variable y0 equal 5.45732250158982
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.5994230945758
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.45658954327302
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1073 -2.9871562 -2.1180935 -2.1127167
1074 -2.9871562 -2.1180935 -2.0802882
Loop time of 4.07696e-05 on 1 procs for 1 steps with 100 atoms
2452.8% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 10.6911063273601
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.45732250158982
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.10189970134594
variable y0 equal ${yi}
variable y0 equal 4.6733581578152
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.02237313388683
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.71707281226085
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1074 -2.9871562 -2.1180935 -2.0802882
1075 -2.9871562 -2.1180935 -2.1033257
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.10189970134594
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.6733581578152
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.07315314093276
variable y0 equal ${yi}
variable y0 equal 4.61574550026819
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.17234739342376
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.66297647112772
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1075 -2.9871562 -2.1180935 -2.1033257
1076 -2.9871562 -2.1180935 -2.0786132
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.07315314093276
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.61574550026819
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54351456640837
variable y0 equal ${yi}
variable y0 equal 3.68936000628603
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.61404219149229
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.61597636504305
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1076 -2.9871562 -2.1180935 -2.0786132
1077 -2.9871562 -2.1180935 -2.1039894
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.54351456640837
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.68936000628603
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.43885856071379
variable y0 equal ${yi}
variable y0 equal 5.558475553443
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.35921405950453
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.52873084490494
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1077 -2.9871562 -2.1180935 -2.1039894
1078 -2.9871562 -2.1180935 -2.1151737
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.43885856071379
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.558475553443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.37437296628075
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y -0.0890555143356287
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1078 -2.9871562 -2.1180935 -2.1151737
1079 -2.9871562 -2.1180935 -2.1152033
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.25209930896322
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y -0.0460000395774746
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1079 -2.9871562 -2.1180935 -2.1152033
1080 -2.9871562 -2.1180935 -2.1109828
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.08207823673592
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.87026369950837
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1080 -2.9871562 -2.1180935 -2.1109828
1081 -2.9871562 -2.1180935 -2.1079835
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.51275517780553
variable y0 equal ${yi}
variable y0 equal 3.68194531960619
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.43112865526448
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.68723789019716
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1081 -2.9871562 -2.1180935 -2.1079835
1082 -2.9871562 -2.1180935 -2.0650556
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.51275517780553
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.68194531960619
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.55546174207155
variable y0 equal ${yi}
variable y0 equal 5.67337435429292
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.53405225434725
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.59134830181794
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1082 -2.9871562 -2.1180935 -2.0650556
1083 -2.9871562 -2.1180935 -2.1014894
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.55546174207155
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67337435429292
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.48253180264112
variable y0 equal ${yi}
variable y0 equal 1.83061694285935
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.42826701878187
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.91359651467866
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1083 -2.9871562 -2.1180935 -2.1014894
1084 -2.9871562 -2.1180935 -2.0289456
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.48253180264112
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.83061694285935
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.22453016439343
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.5425423058536
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1084 -2.9871562 -2.1180935 -2.0289456
1085 -2.9871562 -2.1180935 -1.9336294
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.17293971497565
variable y0 equal ${yi}
variable y0 equal 2.77695646258691
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.09958864171057
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.75573046180108
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1085 -2.9871562 -2.1180935 -1.9336294
1086 -2.9871562 -2.1180935 -2.1361124
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.13611243250496
variable naccept equal ${increment}
variable naccept equal 299
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.56648336806719
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.3369070562389
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1086 -2.9871562 -2.1361124 -2.1361124
1087 -2.9871562 -2.1361124 -2.0594079
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.00726719538078
variable y0 equal ${yi}
variable y0 equal 0.00341384410857337
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.06985479036674
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y -0.076136350631722
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1087 -2.9871562 -2.1361124 -2.0594079
1088 -2.9871562 -2.1361124 -2.1242588
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.00726719538078
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 0.00341384410857337
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.34778394777985
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.51884498541552
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1088 -2.9871562 -2.1361124 -2.1242588
1089 -2.9871562 -2.1361124 -2.1352744
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.92934083898059
variable y0 equal ${yi}
variable y0 equal 6.62002104059687
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.90265085656634
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.60202899710169
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1089 -2.9871562 -2.1361124 -2.1352744
1090 -2.9871562 -2.1361124 -2.1415283
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.14152825389278
variable naccept equal ${increment}
variable naccept equal 300
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.57886640906115
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.77649509066506
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1090 -2.9871562 -2.1415283 -2.1415283
1091 -2.9871562 -2.1415283 -2.1123392
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.51275517780553
variable y0 equal ${yi}
variable y0 equal 3.68194531960619
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.54333351690541
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.62732655568255
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1091 -2.9871562 -2.1415283 -2.1123392
1092 -2.9871562 -2.1415283 -2.1333794
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.51275517780553
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.68194531960619
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.19075627962457
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.74138499064576
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1092 -2.9871562 -2.1415283 -2.1333794
1093 -2.9871562 -2.1415283 -2.1363004
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.16654193121941
variable y0 equal ${yi}
variable y0 equal 6.51635446087352
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.07348546702416
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.60193919674388
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1093 -2.9871562 -2.1415283 -2.1363004
1094 -2.9871562 -2.1415283 -2.0760729
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.16654193121941
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.51635446087352
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.6009229858571
variable y0 equal ${yi}
variable y0 equal 9.18416120517581
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.5012592871839
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.20085385549396
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1094 -2.9871562 -2.1415283 -2.0760729
1095 -2.9871562 -2.1415283 -2.1310712
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.6009229858571
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.18416120517581
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.43885856071379
variable y0 equal ${yi}
variable y0 equal 5.558475553443
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.49586050907042
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.58052233402924
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1095 -2.9871562 -2.1415283 -2.1310712
1096 -2.9871562 -2.1415283 -2.1173465
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.43885856071379
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.558475553443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.6009229858571
variable y0 equal ${yi}
variable y0 equal 9.18416120517581
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.6549111087972
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.08942075479358
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1096 -2.9871562 -2.1415283 -2.1173465
1097 -2.9871562 -2.1415283 -2.0830982
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.6009229858571
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.18416120517581
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 0.0739950656890791
variable y0 equal ${yi}
variable y0 equal 3.67012049718035
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 0.144437539577476
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.58735159201754
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1097 -2.9871562 -2.1415283 -2.0830982
1098 -2.9871562 -2.1415283 -2.0772211
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 0.0739950656890791
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.67012049718035
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.11815181096249
variable y0 equal ${yi}
variable y0 equal 7.44427507248187
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.15947900136166
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.43768918838763
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1098 -2.9871562 -2.1415283 -2.0772211
1099 -2.9871562 -2.1415283 -2.135229
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.11815181096249
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.44427507248187
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.53213668901692
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.37864765253329
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1099 -2.9871562 -2.1415283 -2.135229
1100 -2.9871562 -2.1415283 -2.1225954
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.83310471732608
variable y0 equal ${yi}
variable y0 equal 8.3484317771345
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.85007053573123
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.28624830164012
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1100 -2.9871562 -2.1415283 -2.1225954
1101 -2.9871562 -2.1415283 -2.1112938
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.83310471732608
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.3484317771345
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.89968223531238
variable y0 equal ${yi}
variable y0 equal 0.886041899431079
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.89517073590747
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.848996980893939
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1101 -2.9871562 -2.1415283 -2.1112938
1102 -2.9871562 -2.1415283 -2.1318928
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.89968223531238
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.886041899431079
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.51275517780553
variable y0 equal ${yi}
variable y0 equal 3.68194531960619
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.47090582687627
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.74330347342623
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1102 -2.9871562 -2.1415283 -2.1318928
1103 -2.9871562 -2.1415283 -2.1184746
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.51275517780553
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.68194531960619
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.64134974360247
variable y0 equal ${yi}
variable y0 equal 0.972303231466143
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.5633272278287
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.874827190149157
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1103 -2.9871562 -2.1415283 -2.1184746
1104 -2.9871562 -2.1415283 -2.1286056
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.64134974360247
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.972303231466143
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.69106418092681
variable y0 equal ${yi}
variable y0 equal 0.920749815214004
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.7385457416339
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.980258615720596
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1104 -2.9871562 -2.1415283 -2.1286056
1105 -2.9871562 -2.1415283 -2.1319467
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.69106418092681
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.920749815214004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.4949854779112
variable y0 equal ${yi}
variable y0 equal 0.0935324668884274
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.50610465286848
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.118172180652618
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1105 -2.9871562 -2.1415283 -2.1319467
1106 -2.9871562 -2.1415283 -2.1413445
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.4949854779112
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0935324668884274
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.83310471732608
variable y0 equal ${yi}
variable y0 equal 8.3484317771345
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.9232274051427
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.40573080696162
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1106 -2.9871562 -2.1415283 -2.1413445
1107 -2.9871562 -2.1415283 -2.1444334
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.14443340757643
variable naccept equal ${increment}
variable naccept equal 301
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.81377544601393
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.62144785279199
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1107 -2.9871562 -2.1444334 -2.1444334
1108 -2.9871562 -2.1444334 -2.1107033
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 0.0669886708259583
variable y0 equal ${yi}
variable y0 equal 1.86074338338441
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 0.161515748500824
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.93975150964326
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1108 -2.9871562 -2.1444334 -2.1107033
1109 -2.9871562 -2.1444334 -2.0447319
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 0.0669886708259583
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.86074338338441
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.49823891638834
variable y0 equal ${yi}
variable y0 equal 3.73309955163132
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.58433413027842
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.72119978232514
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1109 -2.9871562 -2.1444334 -2.0447319
1110 -2.9871562 -2.1444334 -2.1030167
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.49823891638834
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.73309955163132
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.87741336464225
variable y0 equal ${yi}
variable y0 equal 6.4556893421792
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.85989640592872
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.43531500832071
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1110 -2.9871562 -2.1444334 -2.1030167
1111 -2.9871562 -2.1444334 -2.1430243
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.87741336464225
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.4556893421792
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.55546174207155
variable y0 equal ${yi}
variable y0 equal 5.67337435429292
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.587389387278
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.70525729601579
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1111 -2.9871562 -2.1444334 -2.1430243
1112 -2.9871562 -2.1444334 -2.136948
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.55546174207155
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67337435429292
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.31488733370514
variable y0 equal ${yi}
variable y0 equal 0.0164698362350535
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.35531896431656
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y -0.0153877139091421
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1112 -2.9871562 -2.1444334 -2.136948
1113 -2.9871562 -2.1444334 -2.1281465
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.31488733370514
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.0164698362350535
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.43885856071379
variable y0 equal ${yi}
variable y0 equal 5.558475553443
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.39688163200285
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.55267873947816
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1113 -2.9871562 -2.1444334 -2.1281465
1114 -2.9871562 -2.1444334 -2.1470643
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.14706431793954
variable naccept equal ${increment}
variable naccept equal 302
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68808116793414
variable y0 equal ${yi}
variable y0 equal 6.45315314070217
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.72319588541766
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.35422031418316
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1114 -2.9871562 -2.1470643 -2.1470643
1115 -2.9871562 -2.1470643 -2.1205401
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68808116793414
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.45315314070217
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4157506708166
variable y0 equal ${yi}
variable y0 equal 6.43439372316829
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.505614650633
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.51881291405193
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1115 -2.9871562 -2.1470643 -2.1205401
1116 -2.9871562 -2.1470643 -2.0704758
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.4157506708166
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.43439372316829
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54407576480333
variable y0 equal ${yi}
variable y0 equal 3.66106940074097
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.46830983319704
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.71250977082383
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1116 -2.9871562 -2.1470643 -2.0704758
1117 -2.9871562 -2.1470643 -2.1316474
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.54407576480333
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.66106940074097
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.51275517780553
variable y0 equal ${yi}
variable y0 equal 3.68194531960619
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.56329734165441
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.72885418696535
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1117 -2.9871562 -2.1470643 -2.1316474
1118 -2.9871562 -2.1470643 -2.1492353
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.14923529552031
variable naccept equal ${increment}
variable naccept equal 303
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.55511315026705
variable y0 equal ${yi}
variable y0 equal 9.1494782041344
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.52910037198489
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.11551784980625
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1118 -2.9871562 -2.1492353 -2.1492353
1119 -2.9871562 -2.1492353 -2.1433838
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.55511315026705
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.1494782041344
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 74
variable x0 equal ${xi}
variable x0 equal 7.09398345032379
variable y0 equal ${yi}
variable y0 equal 6.52802731529703
set atom $i x ${xnew}
set atom 74 x ${xnew}
set atom 74 x 7.03482454100296
1 settings made for x
set atom $i y ${ynew}
set atom 74 y ${ynew}
set atom 74 y 6.62182900444498
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1119 -2.9871562 -2.1492353 -2.1433838
1120 -2.9871562 -2.1492353 -2.1470492
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 74 x ${x0}
set atom 74 x 7.09398345032379
1 settings made for x
set atom $i y ${y0}
set atom 74 y ${y0}
set atom 74 y 6.52802731529703
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.6009229858571
variable y0 equal ${yi}
variable y0 equal 9.18416120517581
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.6111590226346
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.22944378364413
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1120 -2.9871562 -2.1492353 -2.1470492
1121 -2.9871562 -2.1492353 -2.1522176
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.15221758842999
variable naccept equal ${increment}
variable naccept equal 304
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.16308992821724
variable y0 equal ${yi}
variable y0 equal 8.28462620891627
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.08304459769279
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.3205754152685
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1121 -2.9871562 -2.1522176 -2.1522176
1122 -2.9871562 -2.1522176 -2.1303556
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 98 x ${x0}
set atom 98 x 9.16308992821724
1 settings made for x
set atom $i y ${y0}
set atom 98 y ${y0}
set atom 98 y 8.28462620891627
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.94261277555763
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.85001909705498
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1122 -2.9871562 -2.1522176 -2.1303556
1123 -2.9871562 -2.1522176 -2.1368985
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.85868977280953
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.33299971897813
variable y0 equal ${yi}
variable y0 equal 1.87642453095979
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.28497786600801
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.82430138967103
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1123 -2.9871562 -2.1522176 -2.1368985
1124 -2.9871562 -2.1522176 -2.1175093
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.33299971897813
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.87642453095979
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.6111590226346
variable y0 equal ${yi}
variable y0 equal 9.22944378364413
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.5702605326825
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.13415164459079
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1124 -2.9871562 -2.1522176 -2.1175093
1125 -2.9871562 -2.1522176 -2.1309765
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.6111590226346
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.22944378364413
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.496001632610225
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.70756001445154
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1125 -2.9871562 -2.1522176 -2.1309765
1126 -2.9871562 -2.1522176 -2.1248685
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.55511315026705
variable y0 equal ${yi}
variable y0 equal 9.1494782041344
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.5157556430382
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.18696020353168
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1126 -2.9871562 -2.1522176 -2.1248685
1127 -2.9871562 -2.1522176 -2.165775
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.16577499382645
variable naccept equal ${increment}
variable naccept equal 305
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.16654193121941
variable y0 equal ${yi}
variable y0 equal 6.51635446087352
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.21994257885964
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.46503917709819
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1127 -2.9871562 -2.165775 -2.165775
1128 -2.9871562 -2.165775 -2.1153335
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.16654193121941
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.51635446087352
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.67167732913923
variable y0 equal ${yi}
variable y0 equal 2.85737189027169
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.68082190950346
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.79840850802758
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1128 -2.9871562 -2.165775 -2.1153335
1129 -2.9871562 -2.165775 -2.1515914
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.67167732913923
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.85737189027169
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.47326849539052
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.43898451652789
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1129 -2.9871562 -2.165775 -2.1515914
1130 -2.9871562 -2.165775 -2.1646
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.15410325844937
variable y0 equal ${yi}
variable y0 equal 3.75003771348131
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.12513141949826
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.67246260209215
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1130 -2.9871562 -2.165775 -2.1646
1131 -2.9871562 -2.165775 -2.1594605
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.15410325844937
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.75003771348131
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.87415899872123
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.89377870532372
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1131 -2.9871562 -2.165775 -2.1594605
1132 -2.9871562 -2.165775 -2.1590435
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.85868977280953
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.57091288963223
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.78090056939256
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1132 -2.9871562 -2.165775 -2.1590435
1133 -2.9871562 -2.165775 -2.0942328
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.22496320644723
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.76362574858796
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1133 -2.9871562 -2.165775 -2.0942328
1134 -2.9871562 -2.165775 -2.1610511
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.67673475622912
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.63834870213433
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1134 -2.9871562 -2.165775 -2.1610511
1135 -2.9871562 -2.165775 -2.1569299
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.08689599949867
variable y0 equal ${yi}
variable y0 equal 4.81755102032586
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.14854123312981
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.91530180329247
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1135 -2.9871562 -2.165775 -2.1569299
1136 -2.9871562 -2.165775 -2.1391762
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.08689599949867
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.81755102032586
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.93586747366935
variable y0 equal ${yi}
variable y0 equal 0.897689135778275
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.87980985362083
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.854127057302323
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1136 -2.9871562 -2.165775 -2.1391762
1137 -2.9871562 -2.165775 -2.1557944
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.93586747366935
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.897689135778275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.42834627150613
variable y0 equal ${yi}
variable y0 equal 5.4691439980765
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.46373228549081
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.43826093619067
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1137 -2.9871562 -2.165775 -2.1557944
1138 -2.9871562 -2.165775 -2.1583566
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.42834627150613
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.4691439980765
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.570630665222075
variable y0 equal ${yi}
variable y0 equal 0.909747691858138
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.599176140228178
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.960370536554183
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1138 -2.9871562 -2.165775 -2.1583566
1139 -2.9871562 -2.165775 -2.1615325
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.570630665222075
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.909747691858138
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.19670169114628
variable y0 equal ${yi}
variable y0 equal 7.45894124832415
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.20964491128483
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.4096286090877
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1139 -2.9871562 -2.165775 -2.1615325
1140 -2.9871562 -2.165775 -2.1662079
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.16620786766263
variable naccept equal ${increment}
variable naccept equal 306
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4157506708166
variable y0 equal ${yi}
variable y0 equal 6.43439372316829
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.3476545099279
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.42597442404262
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1140 -2.9871562 -2.1662079 -2.1662079
1141 -2.9871562 -2.1662079 -2.1570415
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.4157506708166
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.43439372316829
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.07315314093276
variable y0 equal ${yi}
variable y0 equal 4.61574550026819
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.11453926840468
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.61826166266367
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1141 -2.9871562 -2.1662079 -2.1570415
1142 -2.9871562 -2.1662079 -2.1567147
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.07315314093276
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.61574550026819
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.19226642608205
variable y0 equal ${yi}
variable y0 equal 1.99900682351654
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.28276985644857
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 2.09438709399765
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1142 -2.9871562 -2.1662079 -2.1567147
1143 -2.9871562 -2.1662079 -2.1205509
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.19226642608205
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.99900682351654
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.69766905506086
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.62787096852227
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1143 -2.9871562 -2.1662079 -2.1205509
1144 -2.9871562 -2.1662079 -2.161517
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.38857291776907
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y -0.0451780676841736
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1144 -2.9871562 -2.1662079 -2.161517
1145 -2.9871562 -2.1662079 -2.1172882
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.11236243842937
variable y0 equal ${yi}
variable y0 equal 8.24853718198832
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.04289104341365
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.17687092937525
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1145 -2.9871562 -2.1662079 -2.1172882
1146 -2.9871562 -2.1662079 -2.1097908
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.11236243842937
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.24853718198832
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0322040319442937
variable y0 equal ${yi}
variable y0 equal 7.38692112293505
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 0.105302798748035
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.30429138269686
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1146 -2.9871562 -2.1662079 -2.1097908
1147 -2.9871562 -2.1662079 -2.1561806
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.38692112293505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.73339517314864
variable y0 equal ${yi}
variable y0 equal 8.40177918590603
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.66408509214354
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.48223007835445
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1147 -2.9871562 -2.1662079 -2.1561806
1148 -2.9871562 -2.1662079 -2.1576966
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.73339517314864
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.40177918590603
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.39688163200285
variable y0 equal ${yi}
variable y0 equal 5.55267873947816
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.54884942715364
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1148 -2.9871562 -2.1662079 -2.1576966
1149 -2.9871562 -2.1662079 -2.1665774
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.1665774210028
variable naccept equal ${increment}
variable naccept equal 307
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.69972850839224
variable y0 equal ${yi}
variable y0 equal 6.49726980463495
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.654104717174436
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.49111358658304
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1149 -2.9871562 -2.1665774 -2.1665774
1150 -2.9871562 -2.1665774 -2.1703215
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.17032154223415
variable naccept equal ${increment}
variable naccept equal 308
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.9899615760564
variable y0 equal ${yi}
variable y0 equal 4.5907792245762
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 6.00822756249897
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.53190805071756
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1150 -2.9871562 -2.1703215 -2.1703215
1151 -2.9871562 -2.1703215 -2.1347581
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.9899615760564
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.5907792245762
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.72356691518252
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.4188692244556
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1151 -2.9871562 -2.1703215 -2.1347581
1152 -2.9871562 -2.1703215 -2.1677689
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.08689599949867
variable y0 equal ${yi}
variable y0 equal 4.81755102032586
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.00002467352897
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.7307886039631
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1152 -2.9871562 -2.1703215 -2.1677689
1153 -2.9871562 -2.1703215 -2.1138879
Loop time of 8.4877e-05 on 1 procs for 1 steps with 100 atoms
1177.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.08689599949867
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.81755102032586
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.28626711129705
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y -0.0586591124534511
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1153 -2.9871562 -2.1703215 -2.1138879
1154 -2.9871562 -2.1703215 -2.1594252
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.49823891638834
variable y0 equal ${yi}
variable y0 equal 3.73309955163132
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.47828716754038
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.67844161553513
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1154 -2.9871562 -2.1703215 -2.1594252
1155 -2.9871562 -2.1703215 -2.1534389
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.49823891638834
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.73309955163132
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.89968223531238
variable y0 equal ${yi}
variable y0 equal 0.886041899431079
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.85675258595935
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.888840575921863
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1155 -2.9871562 -2.1703215 -2.1534389
1156 -2.9871562 -2.1703215 -2.1725121
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.17251207266726
variable naccept equal ${increment}
variable naccept equal 309
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54407576480333
variable y0 equal ${yi}
variable y0 equal 3.66106940074097
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.55007757106248
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.6280117825998
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1156 -2.9871562 -2.1725121 -2.1725121
1157 -2.9871562 -2.1725121 -2.1702938
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.54407576480333
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.66106940074097
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.66311051726122
variable y0 equal ${yi}
variable y0 equal 2.84872870417932
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.58530928969164
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.75449854108194
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1157 -2.9871562 -2.1725121 -2.1702938
1158 -2.9871562 -2.1725121 -2.1755075
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.17550751185153
variable naccept equal ${increment}
variable naccept equal 310
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.17886902729378
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.76391618630952
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1158 -2.9871562 -2.1755075 -2.1755075
1159 -2.9871562 -2.1755075 -2.142306
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.44764589826193
variable y0 equal ${yi}
variable y0 equal 8.32563534893091
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.545979900756742
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.34371250785883
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1159 -2.9871562 -2.1755075 -2.142306
1160 -2.9871562 -2.1755075 -2.1701465
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.44764589826193
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.32563534893091
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.89360781310894
variable y0 equal ${yi}
variable y0 equal 0.970815511453479
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.949378951299518
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1160 -2.9871562 -2.1755075 -2.1701465
1161 -2.9871562 -2.1755075 -2.1752032
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.17520320560261
variable naccept equal ${increment}
variable naccept equal 311
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.49823891638834
variable y0 equal ${yi}
variable y0 equal 3.73309955163132
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.58669563054163
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.75819195075165
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1161 -2.9871562 -2.1752032 -2.1752032
1162 -2.9871562 -2.1752032 -2.1606636
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.49823891638834
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.73309955163132
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.77716802000341
variable y0 equal ${yi}
variable y0 equal 8.29469001211223
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.85146122812566
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.31532715477046
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1162 -2.9871562 -2.1752032 -2.1606636
1163 -2.9871562 -2.1752032 -2.1822669
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.18226691609051
variable naccept equal ${increment}
variable naccept equal 312
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.44194593269597
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.50417813387179
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1163 -2.9871562 -2.1822669 -2.1822669
1164 -2.9871562 -2.1822669 -2.175832
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89080204048797
variable y0 equal ${yi}
variable y0 equal 0.962413962591011
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.8989058760707
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.992066200483162
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1164 -2.9871562 -2.1822669 -2.175832
1165 -2.9871562 -2.1822669 -2.1772621
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.89080204048797
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.962413962591011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.76206280509119
variable y0 equal ${yi}
variable y0 equal 4.61360334509775
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.8253456644166
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.53965295905039
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1165 -2.9871562 -2.1822669 -2.1772621
1166 -2.9871562 -2.1822669 -2.166644
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.76206280509119
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.61360334509775
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.654104717174436
variable y0 equal ${yi}
variable y0 equal 6.49111358658304
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.602324505248929
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.48414600626459
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1166 -2.9871562 -2.1822669 -2.166644
1167 -2.9871562 -2.1822669 -2.1624125
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.654104717174436
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.49111358658304
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1148146752378
variable y0 equal ${yi}
variable y0 equal 4.54698911065027
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.0763516906759
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.53816328400537
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1167 -2.9871562 -2.1822669 -2.1624125
1168 -2.9871562 -2.1822669 -2.1749248
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.1148146752378
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.54698911065027
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31064851680662
variable y0 equal ${yi}
variable y0 equal 1.91864991567201
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.21164707342054
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.8427583255536
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1168 -2.9871562 -2.1822669 -2.1749248
1169 -2.9871562 -2.1822669 -2.0541052
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31064851680662
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.91864991567201
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1148146752378
variable y0 equal ${yi}
variable y0 equal 4.54698911065027
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.2142434600851
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.50316708439752
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1169 -2.9871562 -2.1822669 -2.0541052
1170 -2.9871562 -2.1822669 -2.1695054
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.1148146752378
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.54698911065027
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.00726719538078
variable y0 equal ${yi}
variable y0 equal 0.00341384410857337
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.07584694067344
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 0.00976005792616981
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1170 -2.9871562 -2.1822669 -2.1695054
1171 -2.9871562 -2.1822669 -2.190803
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.19080301621031
variable naccept equal ${increment}
variable naccept equal 313
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.631556172767543
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.8337506887565
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1171 -2.9871562 -2.190803 -2.190803
1172 -2.9871562 -2.190803 -2.1696095
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.11815181096249
variable y0 equal ${yi}
variable y0 equal 7.44427507248187
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.20192232449704
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.46502292480731
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1172 -2.9871562 -2.190803 -2.1696095
1173 -2.9871562 -2.190803 -2.1623233
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.11815181096249
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.44427507248187
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.31488733370514
variable y0 equal ${yi}
variable y0 equal 0.0164698362350535
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.34552183230133
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 0.112367868423469
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1173 -2.9871562 -2.190803 -2.1623233
1174 -2.9871562 -2.190803 -2.1740217
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.31488733370514
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.0164698362350535
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.36479252655717
variable y0 equal ${yi}
variable y0 equal 7.37975311603808
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.38815976460191
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.34372957077288
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1174 -2.9871562 -2.190803 -2.1740217
1175 -2.9871562 -2.190803 -2.1691292
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.36479252655717
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.37975311603808
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.58530928969164
variable y0 equal ${yi}
variable y0 equal 2.75449854108194
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.56724593519945
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.68372769328455
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1175 -2.9871562 -2.190803 -2.1691292
1176 -2.9871562 -2.190803 -2.1641552
Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.58530928969164
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.75449854108194
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.81264709193698
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.86744134398797
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1176 -2.9871562 -2.190803 -2.1641552
1177 -2.9871562 -2.190803 -2.1181632
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.85332814427712
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 0.987933591205408
variable y0 equal ${yi}
variable y0 equal 5.5415678853293
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 0.912841990787317
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.49567404930788
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1177 -2.9871562 -2.190803 -2.1181632
1178 -2.9871562 -2.190803 -2.1626279
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 63 x ${x0}
set atom 63 x 0.987933591205408
1 settings made for x
set atom $i y ${y0}
set atom 63 y ${y0}
set atom 63 y 5.5415678853293
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.29979468662949
variable y0 equal ${yi}
variable y0 equal 3.68506254716051
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.3912913926384
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.66139539046419
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1178 -2.9871562 -2.190803 -2.1626279
1179 -2.9871562 -2.190803 -2.1739042
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.29979468662949
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.68506254716051
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.70009867151213
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.76263666504785
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1179 -2.9871562 -2.190803 -2.1739042
1180 -2.9871562 -2.190803 -2.1553483
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.58530928969164
variable y0 equal ${yi}
variable y0 equal 2.75449854108194
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.50656530737658
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.78213430615762
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1180 -2.9871562 -2.190803 -2.1553483
1181 -2.9871562 -2.190803 -2.1656613
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.58530928969164
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.75449854108194
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31064851680662
variable y0 equal ${yi}
variable y0 equal 1.91864991567201
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.22675153413679
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.97428019425935
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1181 -2.9871562 -2.190803 -2.1656613
1182 -2.9871562 -2.190803 -2.1049158
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31064851680662
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.91864991567201
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 0.0739950656890791
variable y0 equal ${yi}
variable y0 equal 3.67012049718035
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 0.112804532051079
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.63683203024996
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1182 -2.9871562 -2.190803 -2.1049158
1183 -2.9871562 -2.190803 -2.175116
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 0.0739950656890791
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.67012049718035
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.08689599949867
variable y0 equal ${yi}
variable y0 equal 4.81755102032586
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 8.99956400115043
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.91183400505944
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1183 -2.9871562 -2.190803 -2.175116
1184 -2.9871562 -2.190803 -2.0565012
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.08689599949867
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.81755102032586
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.44639998514425
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.0933499455451965
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1184 -2.9871562 -2.190803 -2.0565012
1185 -2.9871562 -2.190803 -2.1816823
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.33299971897813
variable y0 equal ${yi}
variable y0 equal 1.87642453095979
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.37364662964555
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.90598655126161
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1185 -2.9871562 -2.190803 -2.1816823
1186 -2.9871562 -2.190803 -2.1780907
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.33299971897813
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.87642453095979
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.37491369961817
variable y0 equal ${yi}
variable y0 equal 7.49044490185045
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.45546932934839
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.46753717985414
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1186 -2.9871562 -2.190803 -2.1780907
1187 -2.9871562 -2.190803 -2.1984487
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.19844868169189
variable naccept equal ${increment}
variable naccept equal 314
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.302839982893
variable y0 equal ${yi}
variable y0 equal 0.902523060548633
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.3395722869892
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.949974997747272
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1187 -2.9871562 -2.1984487 -2.1984487
1188 -2.9871562 -2.1984487 -2.1865853
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.302839982893
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.902523060548633
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.16654193121941
variable y0 equal ${yi}
variable y0 equal 6.51635446087352
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.15111655909569
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.52915453449718
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1188 -2.9871562 -2.1984487 -2.1865853
1189 -2.9871562 -2.1984487 -2.2000649
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.20006491638399
variable naccept equal ${increment}
variable naccept equal 315
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.24694568315411
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.53342558470034
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1189 -2.9871562 -2.2000649 -2.2000649
1190 -2.9871562 -2.2000649 -2.0642401
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.86377175688087
variable y0 equal ${yi}
variable y0 equal 0.979123874414294
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.80188562511741
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.909176393258899
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1190 -2.9871562 -2.2000649 -2.0642401
1191 -2.9871562 -2.2000649 -2.2053168
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.20531678088674
variable naccept equal ${increment}
variable naccept equal 316
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.48253180264112
variable y0 equal ${yi}
variable y0 equal 1.83061694285935
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.4705833124983
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.90757302424973
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1191 -2.9871562 -2.2053168 -2.2053168
1192 -2.9871562 -2.2053168 -2.164935
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.48253180264112
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.83061694285935
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.85675258595935
variable y0 equal ${yi}
variable y0 equal 0.888840575921863
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.93171240050784
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.816528971898883
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1192 -2.9871562 -2.2053168 -2.164935
1193 -2.9871562 -2.2053168 -2.1536106
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.85675258595935
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.888840575921863
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.79539506910918
variable y0 equal ${yi}
variable y0 equal 7.31491797294879
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.38156818475986
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1193 -2.9871562 -2.2053168 -2.1536106
1194 -2.9871562 -2.2053168 -2.2096759
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.20967590758971
variable naccept equal ${increment}
variable naccept equal 317
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54351456640837
variable y0 equal ${yi}
variable y0 equal 3.68936000628603
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.45224042414305
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.76627267165316
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1194 -2.9871562 -2.2096759 -2.2096759
1195 -2.9871562 -2.2096759 -2.1614827
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.54351456640837
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.68936000628603
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.31488733370514
variable y0 equal ${yi}
variable y0 equal 0.0164698362350535
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.35656082709045
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 0.10943429470063
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1195 -2.9871562 -2.2096759 -2.1614827
1196 -2.9871562 -2.2096759 -2.1445307
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.31488733370514
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.0164698362350535
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.71182399312144
variable y0 equal ${yi}
variable y0 equal 1.11174833368096
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.7561781100381
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.17933736633095
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1196 -2.9871562 -2.2096759 -2.1445307
1197 -2.9871562 -2.2096759 -2.1477036
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.71182399312144
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.11174833368096
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.87741336464225
variable y0 equal ${yi}
variable y0 equal 6.4556893421792
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.86141483425437
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.52078018919458
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1197 -2.9871562 -2.2096759 -2.1477036
1198 -2.9871562 -2.2096759 -2.2010059
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.87741336464225
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.4556893421792
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1148146752378
variable y0 equal ${yi}
variable y0 equal 4.54698911065027
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.0419092301389
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.59138042086527
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1198 -2.9871562 -2.2096759 -2.2010059
1199 -2.9871562 -2.2096759 -2.19612
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.1148146752378
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.54698911065027
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.73339517314864
variable y0 equal ${yi}
variable y0 equal 8.40177918590603
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.71264111001922
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.37165092147884
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1199 -2.9871562 -2.2096759 -2.19612
1200 -2.9871562 -2.2096759 -2.2106296
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.21062956346136
variable naccept equal ${increment}
variable naccept equal 318
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.83145104844999
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.60614227408334
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1200 -2.9871562 -2.2106296 -2.2106296
1201 -2.9871562 -2.2106296 -2.1555903
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80623258868343
variable y0 equal ${yi}
variable y0 equal 6.50073292986383
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.75035911122448
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.55652973190774
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1201 -2.9871562 -2.2106296 -2.1555903
1202 -2.9871562 -2.2106296 -2.190058
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.80623258868343
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.50073292986383
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.90265085656634
variable y0 equal ${yi}
variable y0 equal 6.60202899710169
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.96878697831622
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.53832680717936
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1202 -2.9871562 -2.2106296 -2.190058
1203 -2.9871562 -2.2106296 -2.221077
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.22107699955379
variable naccept equal ${increment}
variable naccept equal 319
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80623258868343
variable y0 equal ${yi}
variable y0 equal 6.50073292986383
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.79372576991207
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.40643674866189
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1203 -2.9871562 -2.221077 -2.221077
1204 -2.9871562 -2.221077 -2.1824982
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.80623258868343
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.50073292986383
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.31808795690099
variable y0 equal ${yi}
variable y0 equal 5.6091846699019
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.27674256324331
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.69314532225328
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1204 -2.9871562 -2.221077 -2.1824982
1205 -2.9871562 -2.221077 -2.1761736
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.31808795690099
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.6091846699019
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.11815181096249
variable y0 equal ${yi}
variable y0 equal 7.44427507248187
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.17432607730084
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.40014324512744
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1205 -2.9871562 -2.221077 -2.1761736
1206 -2.9871562 -2.221077 -2.2091438
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.11815181096249
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.44427507248187
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.12744101880885
variable y0 equal ${yi}
variable y0 equal 6.56631985441675
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.09524523614741
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.66529742018213
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1206 -2.9871562 -2.221077 -2.2091438
1207 -2.9871562 -2.221077 -2.1813349
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.12744101880885
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.56631985441675
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.13920235077249
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.50778686132693
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1207 -2.9871562 -2.221077 -2.1813349
1208 -2.9871562 -2.221077 -2.208512
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.570630665222075
variable y0 equal ${yi}
variable y0 equal 0.909747691858138
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.502702804008391
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.906130023706282
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1208 -2.9871562 -2.221077 -2.208512
1209 -2.9871562 -2.221077 -2.1984798
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.570630665222075
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.909747691858138
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.76206280509119
variable y0 equal ${yi}
variable y0 equal 4.61360334509775
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.6440585290806
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1209 -2.9871562 -2.221077 -2.1984798
1210 -2.9871562 -2.221077 -2.2283724
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.22837236137058
variable naccept equal ${increment}
variable naccept equal 320
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.25474564472543
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.51284643736148
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1210 -2.9871562 -2.2283724 -2.2283724
1211 -2.9871562 -2.2283724 -2.1922098
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.302839982893
variable y0 equal ${yi}
variable y0 equal 0.902523060548633
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.3461343888302
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.92704143117699
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1211 -2.9871562 -2.2283724 -2.1922098
1212 -2.9871562 -2.2283724 -2.213443
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.302839982893
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.902523060548633
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.25556523561039
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.67408250136507
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1212 -2.9871562 -2.2283724 -2.213443
1213 -2.9871562 -2.2283724 -2.2212972
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.93181231616832
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.882427306878894
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1213 -2.9871562 -2.2283724 -2.2212972
1214 -2.9871562 -2.2283724 -2.2222423
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.03611046670772
variable y0 equal ${yi}
variable y0 equal 2.66520280810693
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 7.95175537465908
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.62004034491876
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1214 -2.9871562 -2.2283724 -2.2222423
1215 -2.9871562 -2.2283724 -2.1973477
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.03611046670772
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.66520280810693
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.65366426586886
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.31177349008617
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1215 -2.9871562 -2.2283724 -2.1973477
1216 -2.9871562 -2.2283724 -2.2154126
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.67167732913923
variable y0 equal ${yi}
variable y0 equal 2.85737189027169
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.75099048812818
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.79699876281121
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1216 -2.9871562 -2.2283724 -2.2154126
1217 -2.9871562 -2.2283724 -2.1817044
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.67167732913923
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.85737189027169
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4157506708166
variable y0 equal ${yi}
variable y0 equal 6.43439372316829
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.4257452134153
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.33482057587138
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1217 -2.9871562 -2.2283724 -2.1817044
1218 -2.9871562 -2.2283724 -2.159948
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.4157506708166
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.43439372316829
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.34006394544508
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.55278112833696
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1218 -2.9871562 -2.2283724 -2.159948
1219 -2.9871562 -2.2283724 -2.2132233
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.51190109092961
variable y0 equal ${yi}
variable y0 equal 5.64376431648928
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.54070384342442
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.62746680920321
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1219 -2.9871562 -2.2283724 -2.2132233
1220 -2.9871562 -2.2283724 -2.2324641
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.23246413475692
variable naccept equal ${increment}
variable naccept equal 321
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.36479252655717
variable y0 equal ${yi}
variable y0 equal 7.37975311603808
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.36001088698121
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.45248247709536
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1220 -2.9871562 -2.2324641 -2.2324641
1221 -2.9871562 -2.2324641 -2.2246301
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.36479252655717
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.37975311603808
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.71182399312144
variable y0 equal ${yi}
variable y0 equal 1.11174833368096
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.65691963950282
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.01446969102654
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1221 -2.9871562 -2.2324641 -2.2246301
1222 -2.9871562 -2.2324641 -2.2358475
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2436.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.23584753929906
variable naccept equal ${increment}
variable naccept equal 322
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.96819095888778
variable y0 equal ${yi}
variable y0 equal 2.85498608323434
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.94860477724716
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.90535217496255
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1222 -2.9871562 -2.2358475 -2.2358475
1223 -2.9871562 -2.2358475 -2.2100285
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.96819095888778
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.85498608323434
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.81420859614496
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.69690801257059
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1223 -2.9871562 -2.2358475 -2.2100285
1224 -2.9871562 -2.2358475 -2.2275377
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.87741336464225
variable y0 equal ${yi}
variable y0 equal 6.4556893421792
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.8661227667266
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.38212358490457
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1224 -2.9871562 -2.2358475 -2.2275377
1225 -2.9871562 -2.2358475 -2.2179744
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.87741336464225
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.4556893421792
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.11815181096249
variable y0 equal ${yi}
variable y0 equal 7.44427507248187
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.03605349381619
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.40198042717242
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1225 -2.9871562 -2.2358475 -2.2179744
1226 -2.9871562 -2.2358475 -2.220358
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.11815181096249
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.44427507248187
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.85146122812566
variable y0 equal ${yi}
variable y0 equal 8.31532715477046
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.81688043712911
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.38843538679179
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1226 -2.9871562 -2.2358475 -2.220358
1227 -2.9871562 -2.2358475 -2.2557561
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.25575614491694
variable naccept equal ${increment}
variable naccept equal 323
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.18878640571939
variable y0 equal ${yi}
variable y0 equal 5.5354710811873
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.5713402385016
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1227 -2.9871562 -2.2557561 -2.2557561
1228 -2.9871562 -2.2557561 -2.2559413
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.25594125683808
variable naccept equal ${increment}
variable naccept equal 324
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.70415016293307
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.44770802177486
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1228 -2.9871562 -2.2559413 -2.2559413
1229 -2.9871562 -2.2559413 -2.2209577
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.22262982526685
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.47078178253436
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1229 -2.9871562 -2.2559413 -2.2209577
1230 -2.9871562 -2.2559413 -2.1343966
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.68844104885836
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.64276124590798
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1230 -2.9871562 -2.2559413 -2.1343966
1231 -2.9871562 -2.2559413 -2.2472425
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.33299971897813
variable y0 equal ${yi}
variable y0 equal 1.87642453095979
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.28738315184327
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.92619390866823
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1231 -2.9871562 -2.2559413 -2.2472425
1232 -2.9871562 -2.2559413 -2.2581602
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.2581601871335
variable naccept equal ${increment}
variable naccept equal 325
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.27958897987711
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.48568785135942
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1232 -2.9871562 -2.2581602 -2.2581602
1233 -2.9871562 -2.2581602 -2.2189432
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.87586530406467
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.79271024438241
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1233 -2.9871562 -2.2581602 -2.2189432
1234 -2.9871562 -2.2581602 -2.2567729
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.85332814427712
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.55546174207155
variable y0 equal ${yi}
variable y0 equal 5.67337435429292
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.51134479203646
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.72523403113084
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1234 -2.9871562 -2.2581602 -2.2567729
1235 -2.9871562 -2.2581602 -2.2170226
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.55546174207155
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67337435429292
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.31488733370514
variable y0 equal ${yi}
variable y0 equal 0.0164698362350535
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.22231224854202
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y -0.0545361280441213
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1235 -2.9871562 -2.2581602 -2.2170226
1236 -2.9871562 -2.2581602 -2.2602417
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.26024174237713
variable naccept equal ${increment}
variable naccept equal 326
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.56475793281024
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.31500361290241
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1236 -2.9871562 -2.2602417 -2.2602417
1237 -2.9871562 -2.2602417 -2.1419089
Loop time of 4.22001e-05 on 1 procs for 1 steps with 100 atoms
2369.7% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.96819095888778
variable y0 equal ${yi}
variable y0 equal 2.85498608323434
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.99741536656066
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.91690255376199
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1237 -2.9871562 -2.2602417 -2.1419089
1238 -2.9871562 -2.2602417 -2.2357591
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.96819095888778
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.85498608323434
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.42834627150613
variable y0 equal ${yi}
variable y0 equal 5.4691439980765
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.41675959347802
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.38491784279543
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1238 -2.9871562 -2.2602417 -2.2357591
1239 -2.9871562 -2.2602417 -2.1916454
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.42834627150613
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.4691439980765
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.9899615760564
variable y0 equal ${yi}
variable y0 equal 4.5907792245762
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.97210016210071
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.56270364874765
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1239 -2.9871562 -2.2602417 -2.1916454
1240 -2.9871562 -2.2602417 -2.2481044
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.9899615760564
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.5907792245762
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 74
variable x0 equal ${xi}
variable x0 equal 7.09398345032379
variable y0 equal ${yi}
variable y0 equal 6.52802731529703
set atom $i x ${xnew}
set atom 74 x ${xnew}
set atom 74 x 7.17512662687942
1 settings made for x
set atom $i y ${ynew}
set atom 74 y ${ynew}
set atom 74 y 6.56038860813608
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1240 -2.9871562 -2.2602417 -2.2481044
1241 -2.9871562 -2.2602417 -2.2080927
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 74 x ${x0}
set atom 74 x 7.09398345032379
1 settings made for x
set atom $i y ${y0}
set atom 74 y ${y0}
set atom 74 y 6.52802731529703
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.67167732913923
variable y0 equal ${yi}
variable y0 equal 2.85737189027169
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.73375411231947
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.86374088498452
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1241 -2.9871562 -2.2602417 -2.2080927
1242 -2.9871562 -2.2602417 -2.2510678
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.67167732913923
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.85737189027169
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.85786454001552
variable y0 equal ${yi}
variable y0 equal 2.82388043376306
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.85977786752084
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1242 -2.9871562 -2.2602417 -2.2510678
1243 -2.9871562 -2.2602417 -2.2641393
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.26413933369353
variable naccept equal ${increment}
variable naccept equal 327
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.18212960719624
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.76855502886903
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1243 -2.9871562 -2.2641393 -2.2641393
1244 -2.9871562 -2.2641393 -2.2516014
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.5284035909154
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.62692680710717
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1244 -2.9871562 -2.2641393 -2.2516014
1245 -2.9871562 -2.2641393 -2.2390223
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.86332031130134
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.87644312354424
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1245 -2.9871562 -2.2641393 -2.2390223
1246 -2.9871562 -2.2641393 -2.2627684
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.85868977280953
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.22231224854202
variable y0 equal ${yi}
variable y0 equal -0.0545361280441213
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.19449908812256
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y -0.136451959609978
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1246 -2.9871562 -2.2641393 -2.2627684
1247 -2.9871562 -2.2641393 -2.2220546
Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.22231224854202
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y -0.0545361280441213
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.48253180264112
variable y0 equal ${yi}
variable y0 equal 1.83061694285935
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.45257457970258
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.92471433065003
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1247 -2.9871562 -2.2641393 -2.2220546
1248 -2.9871562 -2.2641393 -2.1917339
Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.48253180264112
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.83061694285935
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.70410596330595
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.7235132967846
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1248 -2.9871562 -2.2641393 -2.1917339
1249 -2.9871562 -2.2641393 -2.2516295
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1610254410764
variable y0 equal ${yi}
variable y0 equal 8.2609955064207
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1230198387166
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.20946265377101
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1249 -2.9871562 -2.2641393 -2.2516295
1250 -2.9871562 -2.2641393 -2.2195672
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.1610254410764
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.2609955064207
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.84723316390506
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.7901114818702
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1250 -2.9871562 -2.2641393 -2.2195672
1251 -2.9871562 -2.2641393 -2.2499573
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.85332814427712
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.97344384788372
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.881362481820911
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1251 -2.9871562 -2.2641393 -2.2499573
1252 -2.9871562 -2.2641393 -2.2529527
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.56329734165441
variable y0 equal ${yi}
variable y0 equal 3.72885418696535
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.46856366235982
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.79739284081591
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1252 -2.9871562 -2.2641393 -2.2529527
1253 -2.9871562 -2.2641393 -2.2018749
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.56329734165441
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.72885418696535
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.16117138623755
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 0.0532149553299046
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1253 -2.9871562 -2.2641393 -2.2018749
1254 -2.9871562 -2.2641393 -2.2607188
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.42834627150613
variable y0 equal ${yi}
variable y0 equal 5.4691439980765
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.42781027077752
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.37894008104998
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1254 -2.9871562 -2.2641393 -2.2607188
1255 -2.9871562 -2.2641393 -2.1949611
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.42834627150613
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.4691439980765
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.71264111001922
variable y0 equal ${yi}
variable y0 equal 8.37165092147884
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.79288068016006
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.41447931446132
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1255 -2.9871562 -2.2641393 -2.1949611
1256 -2.9871562 -2.2641393 -2.2486792
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.71264111001922
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.37165092147884
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.03611046670772
variable y0 equal ${yi}
variable y0 equal 2.66520280810693
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.12319112418987
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.56672639819482
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1256 -2.9871562 -2.2641393 -2.2486792
1257 -2.9871562 -2.2641393 -2.0638579
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.03611046670772
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.66520280810693
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.30656300305444
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 0.0413601040840185
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1257 -2.9871562 -2.2641393 -2.0638579
1258 -2.9871562 -2.2641393 -2.2329803
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4157506708166
variable y0 equal ${yi}
variable y0 equal 6.43439372316829
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.4462064150831
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.52069752947322
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1258 -2.9871562 -2.2641393 -2.2329803
1259 -2.9871562 -2.2641393 -2.2259028
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.4157506708166
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.43439372316829
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.07315314093276
variable y0 equal ${yi}
variable y0 equal 4.61574550026819
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.01434378901168
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.64195888394281
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1259 -2.9871562 -2.2641393 -2.2259028
1260 -2.9871562 -2.2641393 -2.2627331
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.07315314093276
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.61574550026819
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.49514547467013
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.74509135836526
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1260 -2.9871562 -2.2641393 -2.2627331
1261 -2.9871562 -2.2641393 -2.2304731
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.24681302944528
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.64284211342531
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1261 -2.9871562 -2.2641393 -2.2304731
1262 -2.9871562 -2.2641393 -2.2499629
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.44702336310464
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 0.0539503574371374
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1262 -2.9871562 -2.2641393 -2.2499629
1263 -2.9871562 -2.2641393 -2.2564851
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.28738315184327
variable y0 equal ${yi}
variable y0 equal 1.92619390866823
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.26792713482591
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 2.01969408176012
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1263 -2.9871562 -2.2641393 -2.2564851
1264 -2.9871562 -2.2641393 -2.2371548
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.28738315184327
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.92619390866823
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.16308992821724
variable y0 equal ${yi}
variable y0 equal 8.28462620891627
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.24388344008476
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.37938709177073
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1264 -2.9871562 -2.2641393 -2.2371548
1265 -2.9871562 -2.2641393 -2.2342051
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 98 x ${x0}
set atom 98 x 9.16308992821724
1 settings made for x
set atom $i y ${y0}
set atom 98 y ${y0}
set atom 98 y 8.28462620891627
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4157506708166
variable y0 equal ${yi}
variable y0 equal 6.43439372316829
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.4859660152456
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.38132144943706
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1265 -2.9871562 -2.2641393 -2.2342051
1266 -2.9871562 -2.2641393 -2.2041796
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.4157506708166
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.43439372316829
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.9899615760564
variable y0 equal ${yi}
variable y0 equal 4.5907792245762
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 6.004888450694
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.58078075999185
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1266 -2.9871562 -2.2641393 -2.2041796
1267 -2.9871562 -2.2641393 -2.2604667
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.9899615760564
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.5907792245762
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.87421489356853
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.97682250331673
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1267 -2.9871562 -2.2641393 -2.2604667
1268 -2.9871562 -2.2641393 -2.2588769
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.44764589826193
variable y0 equal ${yi}
variable y0 equal 8.32563534893091
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.353593810001279
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.35459135688837
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1268 -2.9871562 -2.2641393 -2.2588769
1269 -2.9871562 -2.2641393 -2.22389
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.44764589826193
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.32563534893091
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.12744101880885
variable y0 equal ${yi}
variable y0 equal 6.56631985441675
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.12733483909465
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.48814352289667
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1269 -2.9871562 -2.2641393 -2.22389
1270 -2.9871562 -2.2641393 -2.2332934
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.12744101880885
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.56631985441675
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.67167732913923
variable y0 equal ${yi}
variable y0 equal 2.85737189027169
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.69710961778593
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.90977098914483
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1270 -2.9871562 -2.2641393 -2.2332934
1271 -2.9871562 -2.2641393 -2.2536615
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.67167732913923
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.85737189027169
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.22231224854202
variable y0 equal ${yi}
variable y0 equal 9.25151246297687
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.24272296507568
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 9.33166872966618
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1271 -2.9871562 -2.2641393 -2.2536615
1272 -2.9871562 -2.2641393 -2.2717369
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.27173693607433
variable naccept equal ${increment}
variable naccept equal 328
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.463221640983487
variable y0 equal ${yi}
variable y0 equal 4.61717816943094
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.555552907386685
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.67760973328516
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1272 -2.9871562 -2.2717369 -2.2717369
1273 -2.9871562 -2.2717369 -2.2535963
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 42 x ${x0}
set atom 42 x 0.463221640983487
1 settings made for x
set atom $i y ${y0}
set atom 42 y ${y0}
set atom 42 y 4.61717816943094
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.65546179293273
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.35153057899738
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1273 -2.9871562 -2.2717369 -2.2535963
1274 -2.9871562 -2.2717369 -2.2611035
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.29113070725958
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 0.079921960830698
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1274 -2.9871562 -2.2717369 -2.2611035
1275 -2.9871562 -2.2717369 -2.239209
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.654104717174436
variable y0 equal ${yi}
variable y0 equal 6.49111358658304
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.668957848945524
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.54954484240045
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1275 -2.9871562 -2.2717369 -2.239209
1276 -2.9871562 -2.2717369 -2.2709818
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.654104717174436
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.49111358658304
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.58530928969164
variable y0 equal ${yi}
variable y0 equal 2.75449854108194
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.60449333071489
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.72373769255975
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1276 -2.9871562 -2.2717369 -2.2709818
1277 -2.9871562 -2.2717369 -2.2673763
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.58530928969164
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.75449854108194
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 74
variable x0 equal ${xi}
variable x0 equal 7.09398345032379
variable y0 equal ${yi}
variable y0 equal 6.52802731529703
set atom $i x ${xnew}
set atom 74 x ${xnew}
set atom 74 x 7.16015227118179
1 settings made for x
set atom $i y ${ynew}
set atom 74 y ${ynew}
set atom 74 y 6.57964161173334
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1277 -2.9871562 -2.2717369 -2.2673763
1278 -2.9871562 -2.2717369 -2.2223975
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 74 x ${x0}
set atom 74 x 7.09398345032379
1 settings made for x
set atom $i y ${y0}
set atom 74 y ${y0}
set atom 74 y 6.52802731529703
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.81688043712911
variable y0 equal ${yi}
variable y0 equal 8.38843538679179
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.84117488502797
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.43593072809275
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1278 -2.9871562 -2.2717369 -2.2223975
1279 -2.9871562 -2.2717369 -2.266731
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.81688043712911
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38843538679179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.89878665724878
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.71860878819391
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1279 -2.9871562 -2.2717369 -2.266731
1280 -2.9871562 -2.2717369 -2.2357622
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.11815181096249
variable y0 equal ${yi}
variable y0 equal 7.44427507248187
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.15799492915326
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.40699431028628
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1280 -2.9871562 -2.2717369 -2.2357622
1281 -2.9871562 -2.2717369 -2.2648321
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.11815181096249
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.44427507248187
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.19356538692819
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.60187159722047
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1281 -2.9871562 -2.2717369 -2.2648321
1282 -2.9871562 -2.2717369 -2.2686995
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.28738315184327
variable y0 equal ${yi}
variable y0 equal 1.92619390866823
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.38456106264802
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.93375323197908
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1282 -2.9871562 -2.2717369 -2.2686995
1283 -2.9871562 -2.2717369 -2.2296709
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.28738315184327
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.92619390866823
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.96819095888778
variable y0 equal ${yi}
variable y0 equal 2.85498608323434
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.82734158011773
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1283 -2.9871562 -2.2717369 -2.2296709
1284 -2.9871562 -2.2717369 -2.2756356
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.27563563176765
variable naccept equal ${increment}
variable naccept equal 329
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.19226642608205
variable y0 equal ${yi}
variable y0 equal 1.99900682351654
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.13038978337804
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 2.09338196895187
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1284 -2.9871562 -2.2756356 -2.2756356
1285 -2.9871562 -2.2756356 -2.1814199
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.19226642608205
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.99900682351654
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.03611046670772
variable y0 equal ${yi}
variable y0 equal 2.66520280810693
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.11225927471019
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.65674114199975
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1285 -2.9871562 -2.2756356 -2.1814199
1286 -2.9871562 -2.2756356 -2.2440216
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.03611046670772
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.66520280810693
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.76299114743358
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.89569638940194
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1286 -2.9871562 -2.2756356 -2.2440216
1287 -2.9871562 -2.2756356 -2.2672045
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.85977786752084
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.98887722451679
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.78271263810494
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1287 -2.9871562 -2.2756356 -2.2672045
1288 -2.9871562 -2.2756356 -2.2573607
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.85332814427712
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.41357705671998
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.57711692993838
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1288 -2.9871562 -2.2756356 -2.2573607
1289 -2.9871562 -2.2756356 -2.2633047
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54407576480333
variable y0 equal ${yi}
variable y0 equal 3.66106940074097
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.62332644620363
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.71625846190583
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1289 -2.9871562 -2.2756356 -2.2633047
1290 -2.9871562 -2.2756356 -2.2474629
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.54407576480333
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.66106940074097
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.6111590226346
variable y0 equal ${yi}
variable y0 equal 9.22944378364413
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.6341897566968
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.13043157565921
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1290 -2.9871562 -2.2756356 -2.2474629
1291 -2.9871562 -2.2756356 -2.251131
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.6111590226346
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.22944378364413
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.31808795690099
variable y0 equal ${yi}
variable y0 equal 5.6091846699019
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.34463325500051
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.68058136646944
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1291 -2.9871562 -2.2756356 -2.251131
1292 -2.9871562 -2.2756356 -2.237313
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.31808795690099
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.6091846699019
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 0.0669886708259583
variable y0 equal ${yi}
variable y0 equal 1.86074338338441
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 0.0228117227554322
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.82412650964326
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1292 -2.9871562 -2.2756356 -2.237313
1293 -2.9871562 -2.2756356 -2.2822732
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.28227321485435
variable naccept equal ${increment}
variable naccept equal 330
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.31808795690099
variable y0 equal ${yi}
variable y0 equal 5.6091846699019
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.2683337902979
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.51339185183244
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1293 -2.9871562 -2.2822732 -2.2822732
1294 -2.9871562 -2.2822732 -2.2727613
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.31808795690099
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.6091846699019
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.55135737497579
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.42239182319903
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1294 -2.9871562 -2.2822732 -2.2727613
1295 -2.9871562 -2.2822732 -2.2793412
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.07584694067344
variable y0 equal ${yi}
variable y0 equal 0.00976005792616981
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.0109177056919
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 0.0753347158431925
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1295 -2.9871562 -2.2822732 -2.2793412
1296 -2.9871562 -2.2822732 -2.2641009
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.07584694067344
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 0.00976005792616981
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07343188841992
variable y0 equal ${yi}
variable y0 equal 1.85961672446793
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.03936474641018
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.84491819522446
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1296 -2.9871562 -2.2822732 -2.2641009
1297 -2.9871562 -2.2822732 -2.279413
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.07343188841992
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.85961672446793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 7.00102844515487
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.85936198207238
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1297 -2.9871562 -2.2822732 -2.279413
1298 -2.9871562 -2.2822732 -2.2780604
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.2554411295911
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.86663255664209
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1298 -2.9871562 -2.2822732 -2.2780604
1299 -2.9871562 -2.2822732 -2.261393
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.78276804658273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1148146752378
variable y0 equal ${yi}
variable y0 equal 4.54698911065027
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.0769700292608
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.46781528347894
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1299 -2.9871562 -2.2822732 -2.261393
1300 -2.9871562 -2.2822732 -2.2513418
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.1148146752378
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.54698911065027
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.85657691915027
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.76269737454751
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1300 -2.9871562 -2.2822732 -2.2513418
1301 -2.9871562 -2.2822732 -2.2658279
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.85332814427712
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.87741336464225
variable y0 equal ${yi}
variable y0 equal 6.4556893421792
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.888635989421
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.38686565891733
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1301 -2.9871562 -2.2822732 -2.2658279
1302 -2.9871562 -2.2822732 -2.266989
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.87741336464225
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.4556893421792
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.15410325844937
variable y0 equal ${yi}
variable y0 equal 3.75003771348131
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.15774170478039
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.6504227356447
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1302 -2.9871562 -2.2822732 -2.266989
1303 -2.9871562 -2.2822732 -2.274436
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.15410325844937
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.75003771348131
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.463221640983487
variable y0 equal ${yi}
variable y0 equal 4.61717816943094
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.406589694419766
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.59818894022867
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1303 -2.9871562 -2.2822732 -2.274436
1304 -2.9871562 -2.2822732 -2.2672822
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 42 x ${x0}
set atom 42 x 0.463221640983487
1 settings made for x
set atom $i y ${y0}
set atom 42 y ${y0}
set atom 42 y 4.61717816943094
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.64134974360247
variable y0 equal ${yi}
variable y0 equal 0.972303231466143
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.74028330921908
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.938222130048601
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1304 -2.9871562 -2.2822732 -2.2672822
1305 -2.9871562 -2.2822732 -2.2438255
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.64134974360247
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.972303231466143
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.15623999595205
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 0.0371743679046726
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1305 -2.9871562 -2.2822732 -2.2438255
1306 -2.9871562 -2.2822732 -2.2792508
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.58530928969164
variable y0 equal ${yi}
variable y0 equal 2.75449854108194
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.5379639852025
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.74500366422037
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1306 -2.9871562 -2.2822732 -2.2792508
1307 -2.9871562 -2.2822732 -2.2683027
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.58530928969164
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.75449854108194
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54351456640837
variable y0 equal ${yi}
variable y0 equal 3.68936000628603
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.59699419020292
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.76374191804064
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1307 -2.9871562 -2.2822732 -2.2683027
1308 -2.9871562 -2.2822732 -2.2643416
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.54351456640837
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.68936000628603
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.78488953311874
variable y0 equal ${yi}
variable y0 equal 6.49416505829325
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.82492748697235
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.41313125626078
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1308 -2.9871562 -2.2822732 -2.2643416
1309 -2.9871562 -2.2822732 -2.2453757
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.78488953311874
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.49416505829325
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.65691963950282
variable y0 equal ${yi}
variable y0 equal 1.01446969102654
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.72333437720424
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.06102300475869
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1309 -2.9871562 -2.2822732 -2.2453757
1310 -2.9871562 -2.2822732 -2.2942274
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.29422744234244
variable naccept equal ${increment}
variable naccept equal 331
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.85675258595935
variable y0 equal ${yi}
variable y0 equal 0.888840575921863
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.91721756417743
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.936519785631031
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1310 -2.9871562 -2.2942274 -2.2942274
1311 -2.9871562 -2.2942274 -2.2862647
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.85675258595935
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.888840575921863
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.13935003916131
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.69000889821183
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1311 -2.9871562 -2.2942274 -2.2862647
1312 -2.9871562 -2.2942274 -2.2796391
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.08689599949867
variable y0 equal ${yi}
variable y0 equal 4.81755102032586
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.09878719765693
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.90624204033776
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1312 -2.9871562 -2.2942274 -2.2796391
1313 -2.9871562 -2.2942274 -2.2632256
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.08689599949867
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.81755102032586
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.67167732913923
variable y0 equal ${yi}
variable y0 equal 2.85737189027169
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.65343800981474
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.85940663787225
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1313 -2.9871562 -2.2942274 -2.2632256
1314 -2.9871562 -2.2942274 -2.2948613
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.29486133534463
variable naccept equal ${increment}
variable naccept equal 332
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.14353287855493
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.64033788387971
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1314 -2.9871562 -2.2948613 -2.2948613
1315 -2.9871562 -2.2948613 -2.2635171
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4157506708166
variable y0 equal ${yi}
variable y0 equal 6.43439372316829
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.4508614067098
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.47271387115947
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1315 -2.9871562 -2.2948613 -2.2635171
1316 -2.9871562 -2.2948613 -2.2756855
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.4157506708166
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.43439372316829
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.15111655909569
variable y0 equal ${yi}
variable y0 equal 6.52915453449718
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.07085164505989
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.56651134029857
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1316 -2.9871562 -2.2948613 -2.2756855
1317 -2.9871562 -2.2948613 -2.2504798
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.15111655909569
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.52915453449718
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.515064092079067
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.72008755179742
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1317 -2.9871562 -2.2948613 -2.2504798
1318 -2.9871562 -2.2948613 -2.2918799
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.11236243842937
variable y0 equal ${yi}
variable y0 equal 8.24853718198832
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.06756101249553
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.34520264782008
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1318 -2.9871562 -2.2948613 -2.2918799
1319 -2.9871562 -2.2948613 -2.2928042
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.11236243842937
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.24853718198832
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.03611046670772
variable y0 equal ${yi}
variable y0 equal 2.66520280810693
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.07257722019054
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.58518868657449
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1319 -2.9871562 -2.2948613 -2.2928042
1320 -2.9871562 -2.2948613 -2.2035118
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.03611046670772
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.66520280810693
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.87336637297756
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.82785153361657
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1320 -2.9871562 -2.2948613 -2.2035118
1321 -2.9871562 -2.2948613 -2.2834654
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.85977786752084
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.2378794554731
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.68553432198861
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1321 -2.9871562 -2.2948613 -2.2834654
1322 -2.9871562 -2.2948613 -2.2854858
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.78276804658273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.81688043712911
variable y0 equal ${yi}
variable y0 equal 8.38843538679179
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.7778526389533
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.34849696077403
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1322 -2.9871562 -2.2948613 -2.2854858
1323 -2.9871562 -2.2948613 -2.2858028
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.81688043712911
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38843538679179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31064851680662
variable y0 equal ${yi}
variable y0 equal 1.91864991567201
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.25820756355192
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.95044969699449
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1323 -2.9871562 -2.2948613 -2.2858028
1324 -2.9871562 -2.2948613 -2.2717061
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31064851680662
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.91864991567201
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.19226642608205
variable y0 equal ${yi}
variable y0 equal 1.99900682351654
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.14494195937673
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.98286965272491
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1324 -2.9871562 -2.2948613 -2.2717061
1325 -2.9871562 -2.2948613 -2.2848418
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.19226642608205
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.99900682351654
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.15410325844937
variable y0 equal ${yi}
variable y0 equal 3.75003771348131
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.1726589473074
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.80766061110628
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1325 -2.9871562 -2.2948613 -2.2848418
1326 -2.9871562 -2.2948613 -2.2760542
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.15410325844937
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.75003771348131
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 0.926390245754054
variable y0 equal ${yi}
variable y0 equal 9.23904097783893
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 0.984874358970454
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.19249844062656
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1326 -2.9871562 -2.2948613 -2.2760542
1327 -2.9871562 -2.2948613 -2.2953346
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.29533460197299
variable naccept equal ${increment}
variable naccept equal 333
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 7.01762646713897
variable y0 equal ${yi}
variable y0 equal 8.4145590535551
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.0046394733493
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.32571720995006
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1327 -2.9871562 -2.2953346 -2.2953346
1328 -2.9871562 -2.2953346 -2.2870682
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 7.01762646713897
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.4145590535551
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.23040086666452
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.54572231714921
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1328 -2.9871562 -2.2953346 -2.2870682
1329 -2.9871562 -2.2953346 -2.2943054
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.13383789697991
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.55631255235934
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1329 -2.9871562 -2.2953346 -2.2943054
1330 -2.9871562 -2.2953346 -2.2580951
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 0.984874358970454
variable y0 equal ${yi}
variable y0 equal 9.19249844062656
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 0.942472997505
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.20325301397174
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1330 -2.9871562 -2.2953346 -2.2580951
1331 -2.9871562 -2.2953346 -2.2935511
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 3 x ${x0}
set atom 3 x 0.984874358970454
1 settings made for x
set atom $i y ${y0}
set atom 3 y ${y0}
set atom 3 y 9.19249844062656
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 74
variable x0 equal ${xi}
variable x0 equal 7.09398345032379
variable y0 equal ${yi}
variable y0 equal 6.52802731529703
set atom $i x ${xnew}
set atom 74 x ${xnew}
set atom 74 x 7.14869847574875
1 settings made for x
set atom $i y ${ynew}
set atom 74 y ${ynew}
set atom 74 y 6.59937186972132
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1331 -2.9871562 -2.2953346 -2.2935511
1332 -2.9871562 -2.2953346 -2.2402457
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 74 x ${x0}
set atom 74 x 7.09398345032379
1 settings made for x
set atom $i y ${y0}
set atom 74 y ${y0}
set atom 74 y 6.52802731529703
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.10189970134594
variable y0 equal ${yi}
variable y0 equal 4.6733581578152
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.18557254670956
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.6028702294247
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1332 -2.9871562 -2.2953346 -2.2402457
1333 -2.9871562 -2.2953346 -2.2548114
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.10189970134594
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.6733581578152
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.29481029589387
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.4334490293761
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1333 -2.9871562 -2.2953346 -2.2548114
1334 -2.9871562 -2.2953346 -2.2465423
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54407576480333
variable y0 equal ${yi}
variable y0 equal 3.66106940074097
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.52757603087846
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.74092700047623
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1334 -2.9871562 -2.2953346 -2.2465423
1335 -2.9871562 -2.2953346 -2.2887248
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.54407576480333
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.66106940074097
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68808116793414
variable y0 equal ${yi}
variable y0 equal 6.45315314070217
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.65888813614627
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.3720808459901
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1335 -2.9871562 -2.2953346 -2.2887248
1336 -2.9871562 -2.2953346 -2.2797678
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68808116793414
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.45315314070217
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.22260708252297
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.36962435570025
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1336 -2.9871562 -2.2953346 -2.2797678
1337 -2.9871562 -2.2953346 -2.2860316
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.862532317233
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.82836420508721
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1337 -2.9871562 -2.2953346 -2.2860316
1338 -2.9871562 -2.2953346 -2.2867068
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.85332814427712
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1148146752378
variable y0 equal ${yi}
variable y0 equal 4.54698911065027
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.1174637440702
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.61520494574472
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1338 -2.9871562 -2.2953346 -2.2867068
1339 -2.9871562 -2.2953346 -2.293689
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.1148146752378
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.54698911065027
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89080204048797
variable y0 equal ${yi}
variable y0 equal 0.962413962591011
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.86054152527496
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.928743715989906
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1339 -2.9871562 -2.2953346 -2.293689
1340 -2.9871562 -2.2953346 -2.292052
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.89080204048797
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.962413962591011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.44861375490096
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.64803954308229
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1340 -2.9871562 -2.2953346 -2.292052
1341 -2.9871562 -2.2953346 -2.2752771
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.07584694067344
variable y0 equal ${yi}
variable y0 equal 0.00976005792616981
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.17122870127067
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y -0.0807844519615255
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1341 -2.9871562 -2.2953346 -2.2752771
1342 -2.9871562 -2.2953346 -2.2818217
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.07584694067344
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 0.00976005792616981
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.93586747366935
variable y0 equal ${yi}
variable y0 equal 0.897689135778275
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.92307041604072
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.861539550531235
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1342 -2.9871562 -2.2953346 -2.2818217
1343 -2.9871562 -2.2953346 -2.2855368
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.93586747366935
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.897689135778275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.96878697831622
variable y0 equal ${yi}
variable y0 equal 6.53832680717936
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.98072066266528
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.56137829557887
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1343 -2.9871562 -2.2953346 -2.2855368
1344 -2.9871562 -2.2953346 -2.2920898
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.96878697831622
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.53832680717936
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.55546174207155
variable y0 equal ${yi}
variable y0 equal 5.67337435429292
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.59160623708193
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.74971814100938
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1344 -2.9871562 -2.2953346 -2.2920898
1345 -2.9871562 -2.2953346 -2.2612975
Loop time of 3.79086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.55546174207155
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67337435429292
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.302839982893
variable y0 equal ${yi}
variable y0 equal 0.902523060548633
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.3444101814289
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.871539982068866
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1345 -2.9871562 -2.2953346 -2.2612975
1346 -2.9871562 -2.2953346 -2.2741451
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.302839982893
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.902523060548633
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.44764589826193
variable y0 equal ${yi}
variable y0 equal 8.32563534893091
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.413469560542966
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.3198954454809
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1346 -2.9871562 -2.2953346 -2.2741451
1347 -2.9871562 -2.2953346 -2.2877734
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.44764589826193
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.32563534893091
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.81688043712911
variable y0 equal ${yi}
variable y0 equal 8.38843538679179
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.73077858328161
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.46238026536997
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1347 -2.9871562 -2.2953346 -2.2877734
1348 -2.9871562 -2.2953346 -2.2654391
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.81688043712911
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38843538679179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.81688043712911
variable y0 equal ${yi}
variable y0 equal 8.38843538679179
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.81817211746511
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.35664775289592
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1348 -2.9871562 -2.2953346 -2.2654391
1349 -2.9871562 -2.2953346 -2.2916754
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.81688043712911
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38843538679179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.49823891638834
variable y0 equal ${yi}
variable y0 equal 3.73309955163132
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.50589700459559
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.63503306670319
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1349 -2.9871562 -2.2953346 -2.2916754
1350 -2.9871562 -2.2953346 -2.2671004
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.49823891638834
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.73309955163132
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.49823891638834
variable y0 equal ${yi}
variable y0 equal 3.73309955163132
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.57906069277842
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.82703535123001
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1350 -2.9871562 -2.2953346 -2.2671004
1351 -2.9871562 -2.2953346 -2.2468861
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.49823891638834
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.73309955163132
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.59844397146474
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.36201099481845
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1351 -2.9871562 -2.2953346 -2.2468861
1352 -2.9871562 -2.2953346 -2.2631901
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.15111655909569
variable y0 equal ${yi}
variable y0 equal 6.52915453449718
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.141684624739
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.59070108667842
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1352 -2.9871562 -2.2953346 -2.2631901
1353 -2.9871562 -2.2953346 -2.2754957
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.15111655909569
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.52915453449718
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.35099447487909
variable y0 equal ${yi}
variable y0 equal 1.92307773015564
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.26091949462015
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 1.92970127246445
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1353 -2.9871562 -2.2953346 -2.2754957
1354 -2.9871562 -2.2953346 -2.267102
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 33 x ${x0}
set atom 33 x 6.35099447487909
1 settings made for x
set atom $i y ${y0}
set atom 33 y ${y0}
set atom 33 y 1.92307773015564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.570630665222075
variable y0 equal ${yi}
variable y0 equal 0.909747691858138
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.559640582004454
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.938582559335555
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1354 -2.9871562 -2.2953346 -2.267102
1355 -2.9871562 -2.2953346 -2.2895123
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.570630665222075
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.909747691858138
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.49751656452086
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.49171273653703
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1355 -2.9871562 -2.2953346 -2.2895123
1356 -2.9871562 -2.2953346 -2.25908
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.49348578610842
variable y0 equal ${yi}
variable y0 equal 1.80821938893861
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.50109368720477
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.85763355872697
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1356 -2.9871562 -2.2953346 -2.25908
1357 -2.9871562 -2.2953346 -2.2795324
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 37 x ${x0}
set atom 37 x 8.49348578610842
1 settings made for x
set atom $i y ${y0}
set atom 37 y ${y0}
set atom 37 y 1.80821938893861
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.29979468662949
variable y0 equal ${yi}
variable y0 equal 3.68506254716051
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.37311956961365
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.73546738190782
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1357 -2.9871562 -2.2953346 -2.2795324
1358 -2.9871562 -2.2953346 -2.3000699
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.3000699106129
variable naccept equal ${increment}
variable naccept equal 334
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68808116793414
variable y0 equal ${yi}
variable y0 equal 6.45315314070217
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.67657356142779
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.46560488478176
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1358 -2.9871562 -2.3000699 -2.3000699
1359 -2.9871562 -2.3000699 -2.3000242
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.30002419961976
variable naccept equal ${increment}
variable naccept equal 335
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.09958864171057
variable y0 equal ${yi}
variable y0 equal 2.75573046180108
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.10881058890372
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.66405101987222
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1359 -2.9871562 -2.3000242 -2.3000242
1360 -2.9871562 -2.3000242 -2.2536364
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.09958864171057
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.75573046180108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.81068161049969
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.80909815999368
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1360 -2.9871562 -2.3000242 -2.2536364
1361 -2.9871562 -2.3000242 -2.2946385
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.85977786752084
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.37088978130592
variable y0 equal ${yi}
variable y0 equal 1.86757599494523
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.28278066952003
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.96565907380647
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1361 -2.9871562 -2.3000242 -2.2946385
1362 -2.9871562 -2.3000242 -2.2077304
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 35 x ${x0}
set atom 35 x 7.37088978130592
1 settings made for x
set atom $i y ${y0}
set atom 35 y ${y0}
set atom 35 y 1.86757599494523
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.12744101880885
variable y0 equal ${yi}
variable y0 equal 6.56631985441675
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.1830037414918
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.54814759031763
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1362 -2.9871562 -2.3000242 -2.2077304
1363 -2.9871562 -2.3000242 -2.2690105
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.12744101880885
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.56631985441675
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 7.01762646713897
variable y0 equal ${yi}
variable y0 equal 8.4145590535551
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 6.99377454796478
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.33024649538097
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1363 -2.9871562 -2.3000242 -2.2690105
1364 -2.9871562 -2.3000242 -2.2927375
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 7.01762646713897
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.4145590535551
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.3997807749054
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.59105925505359
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1364 -2.9871562 -2.3000242 -2.2927375
1365 -2.9871562 -2.3000242 -2.287627
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.67657356142779
variable y0 equal ${yi}
variable y0 equal 6.46560488478176
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.73513083338519
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.53814416662685
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1365 -2.9871562 -2.3000242 -2.287627
1366 -2.9871562 -2.3000242 -2.2947541
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.67657356142779
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46560488478176
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.9899615760564
variable y0 equal ${yi}
variable y0 equal 4.5907792245762
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 6.04368883330814
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.6619808828251
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1366 -2.9871562 -2.3000242 -2.2947541
1367 -2.9871562 -2.3000242 -2.2486274
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.9899615760564
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.5907792245762
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.20964491128483
variable y0 equal ${yi}
variable y0 equal 7.4096286090877
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.25867109059849
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.33470831241869
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1367 -2.9871562 -2.3000242 -2.2486274
1368 -2.9871562 -2.3000242 -2.2794964
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.20964491128483
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.4096286090877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.93554923176109
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.77407791587212
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1368 -2.9871562 -2.3000242 -2.2794964
1369 -2.9871562 -2.3000242 -2.2596362
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.85868977280953
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54407576480333
variable y0 equal ${yi}
variable y0 equal 3.66106940074097
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.52560963788454
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.70876102013718
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1369 -2.9871562 -2.3000242 -2.2596362
1370 -2.9871562 -2.3000242 -2.295648
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.54407576480333
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.66106940074097
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.43759010870229
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.0258335590362549
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1370 -2.9871562 -2.3000242 -2.295648
1371 -2.9871562 -2.3000242 -2.2970438
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.81292923887205
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.73180116766854
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1371 -2.9871562 -2.3000242 -2.2970438
1372 -2.9871562 -2.3000242 -2.2838162
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.74989660302286
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.60778792256281
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1372 -2.9871562 -2.3000242 -2.2838162
1373 -2.9871562 -2.3000242 -2.2889697
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.76993929663784
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.88655667277673
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1373 -2.9871562 -2.3000242 -2.2889697
1374 -2.9871562 -2.3000242 -2.2961247
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.85977786752084
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.11236243842937
variable y0 equal ${yi}
variable y0 equal 8.24853718198832
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.0769247591386
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.24582147516306
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1374 -2.9871562 -2.3000242 -2.2961247
1375 -2.9871562 -2.3000242 -2.3014587
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.30145868769799
variable naccept equal ${increment}
variable naccept equal 336
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.58530928969164
variable y0 equal ${yi}
variable y0 equal 2.75449854108194
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.51563278317232
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.76446560593942
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1375 -2.9871562 -2.3014587 -2.3014587
1376 -2.9871562 -2.3014587 -2.2809652
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.58530928969164
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.75449854108194
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.71264111001922
variable y0 equal ${yi}
variable y0 equal 8.37165092147884
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.73734647233917
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.41885987438259
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1376 -2.9871562 -2.3014587 -2.2809652
1377 -2.9871562 -2.3014587 -2.2989242
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.71264111001922
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.37165092147884
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 0.0228117227554322
variable y0 equal ${yi}
variable y0 equal 1.82412650964326
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 0.00867300033569343
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.75659397027558
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1377 -2.9871562 -2.3014587 -2.2989242
1378 -2.9871562 -2.3014587 -2.2802437
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 0.0228117227554322
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.82412650964326
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.71756481090014
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.38722594108845
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1378 -2.9871562 -2.3014587 -2.2802437
1379 -2.9871562 -2.3014587 -2.2822409
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.3001845931963
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.66794571442735
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1379 -2.9871562 -2.3014587 -2.2822409
1380 -2.9871562 -2.3014587 -2.281194
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.14967696110116
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.81221352381837
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1380 -2.9871562 -2.3014587 -2.281194
1381 -2.9871562 -2.3014587 -2.2964729
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.03611046670772
variable y0 equal ${yi}
variable y0 equal 2.66520280810693
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 7.95910298227169
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.63818027945855
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1381 -2.9871562 -2.3014587 -2.2964729
1382 -2.9871562 -2.3014587 -2.2806686
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.03611046670772
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.66520280810693
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.302839982893
variable y0 equal ${yi}
variable y0 equal 0.902523060548633
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.2292649034519
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.913150580633014
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1382 -2.9871562 -2.3014587 -2.2806686
1383 -2.9871562 -2.3014587 -2.3164982
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.31649817267791
variable naccept equal ${increment}
variable naccept equal 337
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.26573571602212
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.77390906376969
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1383 -2.9871562 -2.3164982 -2.3164982
1384 -2.9871562 -2.3164982 -2.2957446
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.54676409799825
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.0123356819152832
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1384 -2.9871562 -2.3164982 -2.2957446
1385 -2.9871562 -2.3164982 -2.3042891
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.96878697831622
variable y0 equal ${yi}
variable y0 equal 6.53832680717936
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.91448788602343
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.57558637396327
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1385 -2.9871562 -2.3164982 -2.3042891
1386 -2.9871562 -2.3164982 -2.3112206
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.96878697831622
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.53832680717936
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.87741336464225
variable y0 equal ${yi}
variable y0 equal 6.4556893421792
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.80220596432029
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.44829917685022
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1386 -2.9871562 -2.3164982 -2.3112206
1387 -2.9871562 -2.3164982 -2.3011108
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.87741336464225
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.4556893421792
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.6111590226346
variable y0 equal ${yi}
variable y0 equal 9.22944378364413
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.6703532059842
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.2144169758591
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1387 -2.9871562 -2.3164982 -2.3011108
1388 -2.9871562 -2.3164982 -2.3128349
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.6111590226346
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.22944378364413
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80623258868343
variable y0 equal ${yi}
variable y0 equal 6.50073292986383
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.76491075078136
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.496090705552
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1388 -2.9871562 -2.3164982 -2.3128349
1389 -2.9871562 -2.3164982 -2.3035526
Loop time of 4.19617e-05 on 1 procs for 1 steps with 100 atoms
2383.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.80623258868343
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.50073292986383
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.58530928969164
variable y0 equal ${yi}
variable y0 equal 2.75449854108194
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.63001570582171
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.83223057957987
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1389 -2.9871562 -2.3164982 -2.3035526
1390 -2.9871562 -2.3164982 -2.317513
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.31751303944805
variable naccept equal ${increment}
variable naccept equal 338
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.93586747366935
variable y0 equal ${yi}
variable y0 equal 0.897689135778275
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.941789159365
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.938164039361802
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1390 -2.9871562 -2.317513 -2.317513
1391 -2.9871562 -2.317513 -2.3159548
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.93586747366935
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.897689135778275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.08614566961633
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.51490707721972
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1391 -2.9871562 -2.317513 -2.3159548
1392 -2.9871562 -2.317513 -2.2829082
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.78488953311874
variable y0 equal ${yi}
variable y0 equal 6.49416505829325
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.80120359857513
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.43112880722513
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1392 -2.9871562 -2.317513 -2.2829082
1393 -2.9871562 -2.317513 -2.3012626
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.78488953311874
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.49416505829325
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.570630665222075
variable y0 equal ${yi}
variable y0 equal 0.909747691858138
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.491872127452757
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.889505692231978
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1393 -2.9871562 -2.317513 -2.3012626
1394 -2.9871562 -2.317513 -2.3110984
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.570630665222075
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.909747691858138
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.11815181096249
variable y0 equal ${yi}
variable y0 equal 7.44427507248187
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.12687894423657
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.52368215647006
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1394 -2.9871562 -2.317513 -2.3110984
1395 -2.9871562 -2.317513 -2.3045404
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.11815181096249
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.44427507248187
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.19773116747247
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.7004801706804
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1395 -2.9871562 -2.317513 -2.3045404
1396 -2.9871562 -2.317513 -2.2959113
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 0.987933591205408
variable y0 equal ${yi}
variable y0 equal 5.5415678853293
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 1.04039912541561
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.56148483698564
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1396 -2.9871562 -2.317513 -2.2959113
1397 -2.9871562 -2.317513 -2.3215174
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.32151737970465
variable naccept equal ${increment}
variable naccept equal 339
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.09958864171057
variable y0 equal ${yi}
variable y0 equal 2.75573046180108
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.08363334853201
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.82831166955331
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1397 -2.9871562 -2.3215174 -2.3215174
1398 -2.9871562 -2.3215174 -2.306214
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.09958864171057
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.75573046180108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.28738315184327
variable y0 equal ${yi}
variable y0 equal 1.92619390866823
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.31444346983643
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.98561314723558
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1398 -2.9871562 -2.3215174 -2.306214
1399 -2.9871562 -2.3215174 -2.3120159
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.28738315184327
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.92619390866823
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.46974054414998
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.54474844064975
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1399 -2.9871562 -2.3215174 -2.3120159
1400 -2.9871562 -2.3215174 -2.2787829
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78193971434718
variable y0 equal ${yi}
variable y0 equal 8.31736352361736
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.80360286751872
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.26736197389659
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1400 -2.9871562 -2.3215174 -2.2787829
1401 -2.9871562 -2.3215174 -2.3147138
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78193971434718
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.31736352361736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 7.01762646713897
variable y0 equal ${yi}
variable y0 equal 8.4145590535551
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.04720294752761
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.49314690746364
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1401 -2.9871562 -2.3215174 -2.3147138
1402 -2.9871562 -2.3215174 -2.2904713
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 7.01762646713897
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.4145590535551
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.81688043712911
variable y0 equal ${yi}
variable y0 equal 8.38843538679179
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.72588594793615
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.35614013589915
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1402 -2.9871562 -2.3215174 -2.2904713
1403 -2.9871562 -2.3215174 -2.2923922
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.81688043712911
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38843538679179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.66611899613021
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.43684519853855
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1403 -2.9871562 -2.3215174 -2.2923922
1404 -2.9871562 -2.3215174 -2.2975685
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.29039489984076
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y -0.0393152713775539
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1404 -2.9871562 -2.3215174 -2.2975685
1405 -2.9871562 -2.3215174 -2.300453
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 0.0739950656890791
variable y0 equal ${yi}
variable y0 equal 3.67012049718035
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 0.159561967849724
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.7207234577669
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1405 -2.9871562 -2.3215174 -2.300453
1406 -2.9871562 -2.3215174 -2.2842087
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 0.0739950656890791
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.67012049718035
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.35099447487909
variable y0 equal ${yi}
variable y0 equal 1.92307773015564
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.38545426844675
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 1.82912135503357
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1406 -2.9871562 -2.3215174 -2.2842087
1407 -2.9871562 -2.3215174 -2.3101598
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 33 x ${x0}
set atom 33 x 6.35099447487909
1 settings made for x
set atom $i y ${y0}
set atom 33 y ${y0}
set atom 33 y 1.92307773015564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.53864973623525
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.00289301872253419
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1407 -2.9871562 -2.3215174 -2.3101598
1408 -2.9871562 -2.3215174 -2.3121441
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.08689599949867
variable y0 equal ${yi}
variable y0 equal 4.81755102032586
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.01123799998314
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.76901442164346
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1408 -2.9871562 -2.3215174 -2.3121441
1409 -2.9871562 -2.3215174 -2.2782364
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.08689599949867
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.81755102032586
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.15111655909569
variable y0 equal ${yi}
variable y0 equal 6.52915453449718
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.20614525992424
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.48910862938396
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1409 -2.9871562 -2.3215174 -2.2782364
1410 -2.9871562 -2.3215174 -2.3000176
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.15111655909569
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.52915453449718
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 7.01762646713897
variable y0 equal ${yi}
variable y0 equal 8.4145590535551
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.10383940020248
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.47872091449794
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1410 -2.9871562 -2.3215174 -2.3000176
1411 -2.9871562 -2.3215174 -2.2770492
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 7.01762646713897
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.4145590535551
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1148146752378
variable y0 equal ${yi}
variable y0 equal 4.54698911065027
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.1039869431516
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.48867152089044
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1411 -2.9871562 -2.3215174 -2.2770492
1412 -2.9871562 -2.3215174 -2.3086917
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.1148146752378
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.54698911065027
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80623258868343
variable y0 equal ${yi}
variable y0 equal 6.50073292986383
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.73662535468227
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.5160320951127
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1412 -2.9871562 -2.3215174 -2.3086917
1413 -2.9871562 -2.3215174 -2.2944351
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.80623258868343
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.50073292986383
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.463221640983487
variable y0 equal ${yi}
variable y0 equal 4.61717816943094
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.500509889522458
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.59161240214273
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1413 -2.9871562 -2.3215174 -2.2944351
1414 -2.9871562 -2.3215174 -2.3275619
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.32756190420613
variable naccept equal ${increment}
variable naccept equal 340
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.570630665222075
variable y0 equal ${yi}
variable y0 equal 0.909747691858138
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.633430464664366
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.811392517793502
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1414 -2.9871562 -2.3275619 -2.3275619
1415 -2.9871562 -2.3275619 -2.3129469
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.570630665222075
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.909747691858138
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.71264111001922
variable y0 equal ${yi}
variable y0 equal 8.37165092147884
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.78002122838928
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.43544684566555
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1415 -2.9871562 -2.3275619 -2.3129469
1416 -2.9871562 -2.3275619 -2.3132303
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.71264111001922
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.37165092147884
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.16308992821724
variable y0 equal ${yi}
variable y0 equal 8.28462620891627
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.14319008309395
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.37685922302302
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1416 -2.9871562 -2.3275619 -2.3132303
1417 -2.9871562 -2.3275619 -2.334119
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.33411903559274
variable naccept equal ${increment}
variable naccept equal 341
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72333437720424
variable y0 equal ${yi}
variable y0 equal 1.06102300475869
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.68942341128475
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.02944649051461
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1417 -2.9871562 -2.334119 -2.334119
1418 -2.9871562 -2.334119 -2.3327015
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72333437720424
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.06102300475869
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.654104717174436
variable y0 equal ${yi}
variable y0 equal 6.49111358658304
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.681616993347074
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.51842010752191
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1418 -2.9871562 -2.334119 -2.3327015
1419 -2.9871562 -2.334119 -2.3339006
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.654104717174436
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.49111358658304
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.80188562511741
variable y0 equal ${yi}
variable y0 equal 0.909176393258899
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.927607925641864
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1419 -2.9871562 -2.334119 -2.3339006
1420 -2.9871562 -2.334119 -2.3369591
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.33695911426154
variable naccept equal ${increment}
variable naccept equal 342
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 7.01762646713897
variable y0 equal ${yi}
variable y0 equal 8.4145590535551
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 6.9232407239978
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.47292033351955
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1420 -2.9871562 -2.3369591 -2.3369591
1421 -2.9871562 -2.3369591 -2.3138447
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 7.01762646713897
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.4145590535551
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.20964491128483
variable y0 equal ${yi}
variable y0 equal 7.4096286090877
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.17499112844029
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.40797953930163
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1421 -2.9871562 -2.3369591 -2.3138447
1422 -2.9871562 -2.3369591 -2.3290892
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.20964491128483
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.4096286090877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.93586747366935
variable y0 equal ${yi}
variable y0 equal 0.897689135778275
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.9175483437255
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.922007139432755
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1422 -2.9871562 -2.3369591 -2.3290892
1423 -2.9871562 -2.3369591 -2.3297941
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.93586747366935
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.897689135778275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.9899615760564
variable y0 equal ${yi}
variable y0 equal 4.5907792245762
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.91528801877491
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.56174655312463
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1423 -2.9871562 -2.3369591 -2.3297941
1424 -2.9871562 -2.3369591 -2.3001875
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.9899615760564
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.5907792245762
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.14319008309395
variable y0 equal ${yi}
variable y0 equal 8.37685922302302
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.21071982104332
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.28916510261592
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1424 -2.9871562 -2.3369591 -2.3001875
1425 -2.9871562 -2.3369591 -2.3141418
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 98 x ${x0}
set atom 98 x 9.14319008309395
1 settings made for x
set atom $i y ${y0}
set atom 98 y ${y0}
set atom 98 y 8.37685922302302
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.93586747366935
variable y0 equal ${yi}
variable y0 equal 0.897689135778275
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.99518160540611
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.952992590177384
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1425 -2.9871562 -2.3369591 -2.3141418
1426 -2.9871562 -2.3369591 -2.3396307
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.3396307160614
variable naccept equal ${increment}
variable naccept equal 343
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.96878697831622
variable y0 equal ${yi}
variable y0 equal 6.53832680717936
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.89155312736026
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.59588965908518
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1426 -2.9871562 -2.3396307 -2.3396307
1427 -2.9871562 -2.3396307 -2.3288513
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.96878697831622
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.53832680717936
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07343188841992
variable y0 equal ${yi}
variable y0 equal 1.85961672446793
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.09460839350873
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.78177765986985
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1427 -2.9871562 -2.3396307 -2.3288513
1428 -2.9871562 -2.3396307 -2.3213605
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.07343188841992
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.85961672446793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.09958864171057
variable y0 equal ${yi}
variable y0 equal 2.75573046180108
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.11200407464056
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.84812313290933
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1428 -2.9871562 -2.3396307 -2.3213605
1429 -2.9871562 -2.3396307 -2.3089544
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.09958864171057
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.75573046180108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 0.0228117227554322
variable y0 equal ${yi}
variable y0 equal 1.82412650964326
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x -0.0584160566329955
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.80623832128114
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1429 -2.9871562 -2.3396307 -2.3089544
1430 -2.9871562 -2.3396307 -2.3378182
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 0.0228117227554322
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.82412650964326
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.21299447217847
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.38093111839556
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1430 -2.9871562 -2.3396307 -2.3378182
1431 -2.9871562 -2.3396307 -2.1697277
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.3393802380518
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.68666055960786
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1431 -2.9871562 -2.3396307 -2.1697277
1432 -2.9871562 -2.3396307 -2.3156496
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 7.04396488943741
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.88780105086663
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1432 -2.9871562 -2.3396307 -2.3156496
1433 -2.9871562 -2.3396307 -2.3216601
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0322040319442937
variable y0 equal ${yi}
variable y0 equal 7.38692112293505
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x -0.0124798059463313
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.42678799953722
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1433 -2.9871562 -2.3396307 -2.3216601
1434 -2.9871562 -2.3396307 -2.3298181
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.38692112293505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.4949854779112
variable y0 equal ${yi}
variable y0 equal 0.0935324668884274
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.43223741530057
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.0405578255653378
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1434 -2.9871562 -2.3396307 -2.3298181
1435 -2.9871562 -2.3396307 -2.3019389
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.4949854779112
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0935324668884274
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.6689266550519
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.41608450330791
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1435 -2.9871562 -2.3396307 -2.3019389
1436 -2.9871562 -2.3396307 -2.3282724
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07343188841992
variable y0 equal ${yi}
variable y0 equal 1.85961672446793
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.17244046052151
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.7811094441182
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1436 -2.9871562 -2.3396307 -2.3282724
1437 -2.9871562 -2.3396307 -2.2949709
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.07343188841992
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.85961672446793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.500509889522458
variable y0 equal ${yi}
variable y0 equal 4.59161240214273
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.413096089759732
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.51295533532068
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1437 -2.9871562 -2.3396307 -2.2949709
1438 -2.9871562 -2.3396307 -2.2788579
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 42 x ${x0}
set atom 42 x 0.500509889522458
1 settings made for x
set atom $i y ${y0}
set atom 42 y ${y0}
set atom 42 y 4.59161240214273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.2645297650358
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.78277354213098
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1438 -2.9871562 -2.3396307 -2.2788579
1439 -2.9871562 -2.3396307 -2.3306331
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.78276804658273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.42834627150613
variable y0 equal ${yi}
variable y0 equal 5.4691439980765
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.44717097996789
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.51531081145007
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1439 -2.9871562 -2.3396307 -2.3306331
1440 -2.9871562 -2.3396307 -2.3550195
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.35501953854671
variable naccept equal ${increment}
variable naccept equal 344
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.7967298471862
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.8725693819175
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1440 -2.9871562 -2.3550195 -2.3550195
1441 -2.9871562 -2.3550195 -2.3357328
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.85868977280953
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.81688043712911
variable y0 equal ${yi}
variable y0 equal 8.38843538679179
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.38617150701579
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1441 -2.9871562 -2.3550195 -2.3357328
1442 -2.9871562 -2.3550195 -2.3549408
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.35494083974892
variable naccept equal ${increment}
variable naccept equal 345
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.4949854779112
variable y0 equal ${yi}
variable y0 equal 0.0935324668884274
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.58006417034742
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.167373013496399
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1442 -2.9871562 -2.3549408 -2.3549408
1443 -2.9871562 -2.3549408 -2.3447817
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.4949854779112
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0935324668884274
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.570630665222075
variable y0 equal ${yi}
variable y0 equal 0.909747691858138
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.506890590587523
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.879210634935225
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1443 -2.9871562 -2.3549408 -2.3447817
1444 -2.9871562 -2.3549408 -2.3525027
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.570630665222075
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.909747691858138
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.11815181096249
variable y0 equal ${yi}
variable y0 equal 7.44427507248187
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.16306649764233
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.49052549925113
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1444 -2.9871562 -2.3549408 -2.3525027
1445 -2.9871562 -2.3549408 -2.3407372
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.11815181096249
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.44427507248187
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.2292649034519
variable y0 equal ${yi}
variable y0 equal 0.913150580633014
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.2494753364582
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.96120479892525
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1445 -2.9871562 -2.3549408 -2.3407372
1446 -2.9871562 -2.3549408 -2.349002
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.2292649034519
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.913150580633014
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.35099447487909
variable y0 equal ${yi}
variable y0 equal 1.92307773015564
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.32729694365579
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 1.98108926198547
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1446 -2.9871562 -2.3549408 -2.349002
1447 -2.9871562 -2.3549408 -2.338625
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 33 x ${x0}
set atom 33 x 6.35099447487909
1 settings made for x
set atom $i y ${y0}
set atom 33 y ${y0}
set atom 33 y 1.92307773015564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.60521225809832
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.29312797702846
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1447 -2.9871562 -2.3549408 -2.338625
1448 -2.9871562 -2.3549408 -2.3400205
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.42101664383184
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.0289419174194336
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1448 -2.9871562 -2.3549408 -2.3400205
1449 -2.9871562 -2.3549408 -2.3489485
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.20964491128483
variable y0 equal ${yi}
variable y0 equal 7.4096286090877
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.14979384898701
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.42056533422732
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1449 -2.9871562 -2.3549408 -2.3489485
1450 -2.9871562 -2.3549408 -2.3401347
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.20964491128483
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.4096286090877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.5157556430382
variable y0 equal ${yi}
variable y0 equal 9.18696020353168
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.50623922505801
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.10736995447009
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1450 -2.9871562 -2.3549408 -2.3401347
1451 -2.9871562 -2.3549408 -2.3234786
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.5157556430382
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.18696020353168
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.2292649034519
variable y0 equal ${yi}
variable y0 equal 0.913150580633014
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.2046052936573
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.850503619420856
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1451 -2.9871562 -2.3549408 -2.3234786
1452 -2.9871562 -2.3549408 -2.3476548
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.2292649034519
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.913150580633014
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.24272296507568
variable y0 equal ${yi}
variable y0 equal 9.33166872966618
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.18006639559478
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 9.35423414218754
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1452 -2.9871562 -2.3549408 -2.3476548
1453 -2.9871562 -2.3549408 -2.3370754
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.24272296507568
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 9.33166872966618
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72333437720424
variable y0 equal ${yi}
variable y0 equal 1.06102300475869
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.81610471526271
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.03987873386178
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1453 -2.9871562 -2.3549408 -2.3370754
1454 -2.9871562 -2.3549408 -2.3346935
Loop time of 8.01086e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72333437720424
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.06102300475869
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.31808795690099
variable y0 equal ${yi}
variable y0 equal 5.6091846699019
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.33757749557058
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.5376607293387
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1454 -2.9871562 -2.3549408 -2.3346935
1455 -2.9871562 -2.3549408 -2.3529558
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.31808795690099
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.6091846699019
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.10216642061578
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.4698854359653
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1455 -2.9871562 -2.3549408 -2.3529558
1456 -2.9871562 -2.3549408 -2.3411584
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.48253180264112
variable y0 equal ${yi}
variable y0 equal 1.83061694285935
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.40627809046384
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.79728998324936
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1456 -2.9871562 -2.3549408 -2.3411584
1457 -2.9871562 -2.3549408 -2.2778194
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.48253180264112
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.83061694285935
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.77143823106718
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.71798951977655
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1457 -2.9871562 -2.3549408 -2.2778194
1458 -2.9871562 -2.3549408 -2.3488871
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72333437720424
variable y0 equal ${yi}
variable y0 equal 1.06102300475869
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.81491672316676
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.09172373603616
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1458 -2.9871562 -2.3549408 -2.3488871
1459 -2.9871562 -2.3549408 -2.3216644
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72333437720424
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.06102300475869
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.07584694067344
variable y0 equal ${yi}
variable y0 equal 0.00976005792616981
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.10211095253333
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y -0.0511623024940572
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1459 -2.9871562 -2.3549408 -2.3216644
1460 -2.9871562 -2.3549408 -2.3492762
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.07584694067344
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 0.00976005792616981
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.49823891638834
variable y0 equal ${yi}
variable y0 equal 3.73309955163132
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.51557409285624
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.75448479218613
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1460 -2.9871562 -2.3549408 -2.3492762
1461 -2.9871562 -2.3549408 -2.3545015
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.35450153633404
variable naccept equal ${increment}
variable naccept equal 346
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 7.04244712868377
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.89622831317284
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1461 -2.9871562 -2.3545015 -2.3545015
1462 -2.9871562 -2.3545015 -2.3342387
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0322040319442937
variable y0 equal ${yi}
variable y0 equal 7.38692112293505
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 0.0856049180031011
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.28934710350298
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1462 -2.9871562 -2.3545015 -2.3342387
1463 -2.9871562 -2.3545015 -2.320176
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.38692112293505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.28738315184327
variable y0 equal ${yi}
variable y0 equal 1.92619390866823
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.93462480685777
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1463 -2.9871562 -2.3545015 -2.320176
1464 -2.9871562 -2.3545015 -2.3542621
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.35426206390647
variable naccept equal ${increment}
variable naccept equal 347
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.9232274051427
variable y0 equal ${yi}
variable y0 equal 8.40573080696162
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.88698596913806
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.45666179575022
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1464 -2.9871562 -2.3542621 -2.3542621
1465 -2.9871562 -2.3542621 -2.3444862
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.9232274051427
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.40573080696162
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.93120936989128
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.87007487984994
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1465 -2.9871562 -2.3542621 -2.3444862
1466 -2.9871562 -2.3542621 -2.3423625
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.85868977280953
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.49348578610842
variable y0 equal ${yi}
variable y0 equal 1.80821938893861
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.42770778098528
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.80480095527238
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1466 -2.9871562 -2.3542621 -2.3423625
1467 -2.9871562 -2.3542621 -2.3471716
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 37 x ${x0}
set atom 37 x 8.49348578610842
1 settings made for x
set atom $i y ${y0}
set atom 37 y ${y0}
set atom 37 y 1.80821938893861
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4157506708166
variable y0 equal ${yi}
variable y0 equal 6.43439372316829
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.4859779361746
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.51246143118373
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1467 -2.9871562 -2.3542621 -2.3471716
1468 -2.9871562 -2.3542621 -2.2780837
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.4157506708166
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.43439372316829
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.31808795690099
variable y0 equal ${yi}
variable y0 equal 5.6091846699019
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.22048578023473
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.56982244198518
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1468 -2.9871562 -2.3542621 -2.2780837
1469 -2.9871562 -2.3542621 -2.3394138
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.31808795690099
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.6091846699019
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.57034656882067
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.74206749552651
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1469 -2.9871562 -2.3542621 -2.3394138
1470 -2.9871562 -2.3542621 -2.3429202
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.71282921910067
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.35723161615428
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1470 -2.9871562 -2.3542621 -2.3429202
1471 -2.9871562 -2.3542621 -2.3384664
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.75838735579131
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.39466700878406
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1471 -2.9871562 -2.3542621 -2.3384664
1472 -2.9871562 -2.3542621 -2.3415954
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.1170010391842
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.84430436275071
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1472 -2.9871562 -2.3542621 -2.3415954
1473 -2.9871562 -2.3542621 -2.3478311
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.03611046670772
variable y0 equal ${yi}
variable y0 equal 2.66520280810693
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.01815503238536
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.72729808064798
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1473 -2.9871562 -2.3542621 -2.3478311
1474 -2.9871562 -2.3542621 -2.3694307
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.36943069019497
variable naccept equal ${increment}
variable naccept equal 348
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.54070384342442
variable y0 equal ${yi}
variable y0 equal 5.62746680920321
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.61902609903584
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.61938893740374
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1474 -2.9871562 -2.3694307 -2.3694307
1475 -2.9871562 -2.3694307 -2.3424105
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 75 x ${x0}
set atom 75 x 7.54070384342442
1 settings made for x
set atom $i y ${y0}
set atom 75 y ${y0}
set atom 75 y 5.62746680920321
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.2292649034519
variable y0 equal ${yi}
variable y0 equal 0.913150580633014
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.3007369045276
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.990353544462055
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1475 -2.9871562 -2.3694307 -2.3424105
1476 -2.9871562 -2.3694307 -2.338617
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.2292649034519
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.913150580633014
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.87741336464225
variable y0 equal ${yi}
variable y0 equal 6.4556893421792
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.92941437601386
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.50210498110285
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1476 -2.9871562 -2.3694307 -2.338617
1477 -2.9871562 -2.3694307 -2.3657876
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.87741336464225
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.4556893421792
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.07315314093276
variable y0 equal ${yi}
variable y0 equal 4.61574550026819
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.01011228838607
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.6700352584736
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1477 -2.9871562 -2.3694307 -2.3657876
1478 -2.9871562 -2.3694307 -2.3704325
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.37043247392204
variable naccept equal ${increment}
variable naccept equal 349
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.97699214814998
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 1.0015752632502
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1478 -2.9871562 -2.3704325 -2.3704325
1479 -2.9871562 -2.3704325 -2.3514417
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89080204048797
variable y0 equal ${yi}
variable y0 equal 0.962413962591011
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.90751540938064
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.986440892923195
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1479 -2.9871562 -2.3704325 -2.3514417
1480 -2.9871562 -2.3704325 -2.3657376
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.89080204048797
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.962413962591011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.44717097996789
variable y0 equal ${yi}
variable y0 equal 5.51531081145007
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.48661776303369
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.46587549393374
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1480 -2.9871562 -2.3704325 -2.3657376
1481 -2.9871562 -2.3704325 -2.3460946
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.44717097996789
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.51531081145007
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.49140014488469
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.41911385383868
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1481 -2.9871562 -2.3704325 -2.3460946
1482 -2.9871562 -2.3704325 -2.3675316
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89080204048797
variable y0 equal ${yi}
variable y0 equal 0.962413962591011
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.83668004551574
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.92783373187812
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1482 -2.9871562 -2.3704325 -2.3675316
1483 -2.9871562 -2.3704325 -2.3601997
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.89080204048797
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.962413962591011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.531227107444668
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.8529121873031
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1483 -2.9871562 -2.3704325 -2.3601997
1484 -2.9871562 -2.3704325 -2.3415874
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.31467411596986
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.91953432939119
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1484 -2.9871562 -2.3704325 -2.3415874
1485 -2.9871562 -2.3704325 -2.3675499
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.543227596679592
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.7043867466102
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1485 -2.9871562 -2.3704325 -2.3675499
1486 -2.9871562 -2.3704325 -2.3621885
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 0.0228117227554322
variable y0 equal ${yi}
variable y0 equal 1.82412650964326
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x -0.00960502624511712
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.92084378383226
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1486 -2.9871562 -2.3704325 -2.3621885
1487 -2.9871562 -2.3704325 -2.3649158
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 0.0228117227554322
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.82412650964326
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1610254410764
variable y0 equal ${yi}
variable y0 equal 8.2609955064207
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1299862031003
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.32108940996227
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1487 -2.9871562 -2.3704325 -2.3649158
1488 -2.9871562 -2.3704325 -2.3726887
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.37268873021352
variable naccept equal ${increment}
variable naccept equal 350
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.07584694067344
variable y0 equal ${yi}
variable y0 equal 0.00976005792616981
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.09751490990028
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y -0.0679888486862264
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1488 -2.9871562 -2.3726887 -2.3726887
1489 -2.9871562 -2.3726887 -2.3612272
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.07584694067344
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 0.00976005792616981
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78193971434718
variable y0 equal ${yi}
variable y0 equal 8.31736352361736
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.7289076856721
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.40347735799846
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1489 -2.9871562 -2.3726887 -2.3612272
1490 -2.9871562 -2.3726887 -2.3663291
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78193971434718
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.31736352361736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.0769247591386
variable y0 equal ${yi}
variable y0 equal 8.24582147516306
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.10414947866298
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.21895248807962
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1490 -2.9871562 -2.3726887 -2.3663291
1491 -2.9871562 -2.3726887 -2.3605677
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.0769247591386
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.24582147516306
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.73079706072148
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.29423174776134
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1491 -2.9871562 -2.3726887 -2.3605677
1492 -2.9871562 -2.3726887 -2.3271389
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54351456640837
variable y0 equal ${yi}
variable y0 equal 3.68936000628603
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.58711407660124
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.62950555844439
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1492 -2.9871562 -2.3726887 -2.3271389
1493 -2.9871562 -2.3726887 -2.3717984
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.54351456640837
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.68936000628603
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.54070384342442
variable y0 equal ${yi}
variable y0 equal 5.62746680920321
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.50203043062458
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.62832393591601
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1493 -2.9871562 -2.3726887 -2.3717984
1494 -2.9871562 -2.3726887 -2.3710469
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 75 x ${x0}
set atom 75 x 7.54070384342442
1 settings made for x
set atom $i y ${y0}
set atom 75 y ${y0}
set atom 75 y 5.62746680920321
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 1.04039912541561
variable y0 equal ${yi}
variable y0 equal 5.56148483698564
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 1.00235855897121
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.63126721327501
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1494 -2.9871562 -2.3726887 -2.3710469
1495 -2.9871562 -2.3726887 -2.3366292
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 63 x ${x0}
set atom 63 x 1.04039912541561
1 settings made for x
set atom $i y ${y0}
set atom 63 y ${y0}
set atom 63 y 5.56148483698564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.570630665222075
variable y0 equal ${yi}
variable y0 equal 0.909747691858138
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.647087474265959
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.910117705571975
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1495 -2.9871562 -2.3726887 -2.3366292
1496 -2.9871562 -2.3726887 -2.3602876
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.570630665222075
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.909747691858138
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.5157556430382
variable y0 equal ${yi}
variable y0 equal 9.18696020353168
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.44088740506594
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.25733234393924
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1496 -2.9871562 -2.3726887 -2.3602876
1497 -2.9871562 -2.3726887 -2.375232
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.37523195612152
variable naccept equal ${increment}
variable naccept equal 351
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.2965234319296
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.50021761980319
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1497 -2.9871562 -2.375232 -2.375232
1498 -2.9871562 -2.375232 -2.3695333
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.36479252655717
variable y0 equal ${yi}
variable y0 equal 7.37975311603808
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.38917808857226
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1498 -2.9871562 -2.375232 -2.3695333
1499 -2.9871562 -2.375232 -2.3947686
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.39476858179107
variable naccept equal ${increment}
variable naccept equal 352
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.96878697831622
variable y0 equal ${yi}
variable y0 equal 6.53832680717936
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.9446061368703
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.48542789951792
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1499 -2.9871562 -2.3947686 -2.3947686
1500 -2.9871562 -2.3947686 -2.3943736
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.96878697831622
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.53832680717936
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.96878697831622
variable y0 equal ${yi}
variable y0 equal 6.53832680717936
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 6.0639265533208
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.469044120469
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1500 -2.9871562 -2.3947686 -2.3943736
1501 -2.9871562 -2.3947686 -2.3845998
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.96878697831622
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.53832680717936
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.43179693062078
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.46337099399829
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1501 -2.9871562 -2.3947686 -2.3845998
1502 -2.9871562 -2.3947686 -2.3813945
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.78488953311874
variable y0 equal ${yi}
variable y0 equal 6.49416505829325
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.78527783353759
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.5906715227746
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1502 -2.9871562 -2.3947686 -2.3813945
1503 -2.9871562 -2.3947686 -2.3569088
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.78488953311874
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.49416505829325
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.28582660038682
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.58978760187823
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1503 -2.9871562 -2.3947686 -2.3569088
1504 -2.9871562 -2.3947686 -2.3725089
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.45546932934839
variable y0 equal ${yi}
variable y0 equal 7.46753717985414
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.39690632342417
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.56180018511079
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1504 -2.9871562 -2.3947686 -2.3725089
1505 -2.9871562 -2.3947686 -2.3762551
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.45546932934839
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.46753717985414
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.77766234516441
variable y0 equal ${yi}
variable y0 equal 0.927607925641864
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.83681716560661
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.978899713266223
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1505 -2.9871562 -2.3947686 -2.3762551
1506 -2.9871562 -2.3947686 -2.3926418
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.927607925641864
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.67657356142779
variable y0 equal ${yi}
variable y0 equal 6.46560488478176
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.64003955006381
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.50845887199871
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1506 -2.9871562 -2.3947686 -2.3926418
1507 -2.9871562 -2.3947686 -2.3868438
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.67657356142779
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46560488478176
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 74
variable x0 equal ${xi}
variable x0 equal 7.09398345032379
variable y0 equal ${yi}
variable y0 equal 6.52802731529703
set atom $i x ${xnew}
set atom 74 x ${xnew}
set atom 74 x 7.01612979450867
1 settings made for x
set atom $i y ${ynew}
set atom 74 y ${ynew}
set atom 74 y 6.42892779842844
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1507 -2.9871562 -2.3947686 -2.3868438
1508 -2.9871562 -2.3947686 -2.3888315
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 74 x ${x0}
set atom 74 x 7.09398345032379
1 settings made for x
set atom $i y ${y0}
set atom 74 y ${y0}
set atom 74 y 6.52802731529703
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.34412993589308
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.60858879034715
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1508 -2.9871562 -2.3947686 -2.3888315
1509 -2.9871562 -2.3947686 -2.3651189
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.64134974360247
variable y0 equal ${yi}
variable y0 equal 0.972303231466143
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.54811446547289
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 1.07000118087563
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1509 -2.9871562 -2.3947686 -2.3651189
1510 -2.9871562 -2.3947686 -2.3320875
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.64134974360247
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.972303231466143
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.35171856959077
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.87056308171815
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1510 -2.9871562 -2.3947686 -2.3320875
1511 -2.9871562 -2.3947686 -2.3740969
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.32212101617719
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y -0.0430850386619593
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1511 -2.9871562 -2.3947686 -2.3740969
1512 -2.9871562 -2.3947686 -2.391497
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.19859944660874
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.98951424739427
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1512 -2.9871562 -2.3947686 -2.391497
1513 -2.9871562 -2.3947686 -2.3656805
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.2292649034519
variable y0 equal ${yi}
variable y0 equal 0.913150580633014
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.2425577644367
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.970871837842792
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1513 -2.9871562 -2.3947686 -2.3656805
1514 -2.9871562 -2.3947686 -2.3885654
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.2292649034519
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.913150580633014
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 0.984874358970454
variable y0 equal ${yi}
variable y0 equal 9.19249844062656
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 1.01880672295742
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.13399792421192
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1514 -2.9871562 -2.3947686 -2.3885654
1515 -2.9871562 -2.3947686 -2.3735659
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 3 x ${x0}
set atom 3 x 0.984874358970454
1 settings made for x
set atom $i y ${y0}
set atom 3 y ${y0}
set atom 3 y 9.19249844062656
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.26030419508325
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.80438035292756
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1515 -2.9871562 -2.3947686 -2.3735659
1516 -2.9871562 -2.3947686 -2.3784183
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.79340949892339
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.35282856144008
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1516 -2.9871562 -2.3947686 -2.3784183
1517 -2.9871562 -2.3947686 -2.3895593
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2496.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.78488953311874
variable y0 equal ${yi}
variable y0 equal 6.49416505829325
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.68760706384613
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.50340765253535
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1517 -2.9871562 -2.3947686 -2.3895593
1518 -2.9871562 -2.3947686 -2.3989298
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.3989297516472
variable naccept equal ${increment}
variable naccept equal 353
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.51557409285624
variable y0 equal ${yi}
variable y0 equal 3.75448479218613
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.47277295111735
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.83231308026444
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1518 -2.9871562 -2.3989298 -2.3989298
1519 -2.9871562 -2.3989298 -2.322835
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.51557409285624
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.75448479218613
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 0.984874358970454
variable y0 equal ${yi}
variable y0 equal 9.19249844062656
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 0.978389027911952
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.14079703796238
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1519 -2.9871562 -2.3989298 -2.322835
1520 -2.9871562 -2.3989298 -2.3810115
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 3 x ${x0}
set atom 3 x 0.984874358970454
1 settings made for x
set atom $i y ${y0}
set atom 3 y ${y0}
set atom 3 y 9.19249844062656
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.44088740506594
variable y0 equal ${yi}
variable y0 equal 9.25733234393924
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.36980580249254
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.26625304925769
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1520 -2.9871562 -2.3989298 -2.3810115
1521 -2.9871562 -2.3989298 -2.3457274
Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.44088740506594
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.25733234393924
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.67657356142779
variable y0 equal ${yi}
variable y0 equal 6.46560488478176
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.59741409897586
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.52782576815121
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1521 -2.9871562 -2.3989298 -2.3457274
1522 -2.9871562 -2.3989298 -2.3756913
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.67657356142779
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46560488478176
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.12744101880885
variable y0 equal ${yi}
variable y0 equal 6.56631985441675
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.14046489595271
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.63681157366266
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1522 -2.9871562 -2.3989298 -2.3756913
1523 -2.9871562 -2.3989298 -2.3663314
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.12744101880885
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.56631985441675
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.61642004409259
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.32140074100757
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1523 -2.9871562 -2.3989298 -2.3663314
1524 -2.9871562 -2.3989298 -2.3237529
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.29730551321717
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.92375522039003
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1524 -2.9871562 -2.3989298 -2.3237529
1525 -2.9871562 -2.3989298 -2.3985482
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.01815503238536
variable y0 equal ${yi}
variable y0 equal 2.72729808064798
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 7.98089035152293
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.77439453574518
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1525 -2.9871562 -2.3989298 -2.3985482
1526 -2.9871562 -2.3989298 -2.3921063
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.01815503238536
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.72729808064798
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 0.0739950656890791
variable y0 equal ${yi}
variable y0 equal 3.67012049718035
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 0.142978250980369
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.69816256327761
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1526 -2.9871562 -2.3989298 -2.3921063
1527 -2.9871562 -2.3989298 -2.3736839
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 0.0739950656890791
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.67012049718035
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.44764589826193
variable y0 equal ${yi}
variable y0 equal 8.32563534893091
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.378554792800809
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.28918507017191
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1527 -2.9871562 -2.3989298 -2.3736839
1528 -2.9871562 -2.3989298 -2.3771126
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.44764589826193
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.32563534893091
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.96878697831622
variable y0 equal ${yi}
variable y0 equal 6.53832680717936
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.92538883645526
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.57909677759638
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1528 -2.9871562 -2.3989298 -2.3771126
1529 -2.9871562 -2.3989298 -2.3942368
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.96878697831622
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.53832680717936
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.43818752605687
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.49267847862506
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1529 -2.9871562 -2.3989298 -2.3942368
1530 -2.9871562 -2.3989298 -2.3839477
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.80756586114054
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.67291865700647
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1530 -2.9871562 -2.3989298 -2.3839477
1531 -2.9871562 -2.3989298 -2.3963064
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.10189970134594
variable y0 equal ${yi}
variable y0 equal 4.6733581578152
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.18322487472393
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.72661550396846
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1531 -2.9871562 -2.3989298 -2.3963064
1532 -2.9871562 -2.3989298 -2.3379857
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.10189970134594
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.6733581578152
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.9899615760564
variable y0 equal ${yi}
variable y0 equal 4.5907792245762
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.92891080338947
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.54894819611474
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1532 -2.9871562 -2.3989298 -2.3379857
1533 -2.9871562 -2.3989298 -2.3559536
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.9899615760564
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.5907792245762
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.63001570582171
variable y0 equal ${yi}
variable y0 equal 2.83223057957987
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.66828639387866
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.88654494258265
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1533 -2.9871562 -2.3989298 -2.3559536
1534 -2.9871562 -2.3989298 -2.3810364
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.63001570582171
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.83223057957987
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.9232274051427
variable y0 equal ${yi}
variable y0 equal 8.40573080696162
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.36937119878825
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1534 -2.9871562 -2.3989298 -2.3810364
1535 -2.9871562 -2.3989298 -2.4000834
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.40008344278539
variable naccept equal ${increment}
variable naccept equal 354
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.6911063273601
variable y0 equal ${yi}
variable y0 equal 5.45732250158982
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.7156234820537
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.41986849253373
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1535 -2.9871562 -2.4000834 -2.4000834
1536 -2.9871562 -2.4000834 -2.3980907
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 10.6911063273601
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.45732250158982
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.48253180264112
variable y0 equal ${yi}
variable y0 equal 1.83061694285935
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.47581311939832
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.92239302775925
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1536 -2.9871562 -2.4000834 -2.3980907
1537 -2.9871562 -2.4000834 -2.3582416
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.48253180264112
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.83061694285935
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.15410325844937
variable y0 equal ${yi}
variable y0 equal 3.75003771348131
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.08761530240231
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.78302318616045
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1537 -2.9871562 -2.4000834 -2.3582416
1538 -2.9871562 -2.4000834 -2.3929544
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.15410325844937
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.75003771348131
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.67657356142779
variable y0 equal ${yi}
variable y0 equal 6.46560488478176
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.74849980950137
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.52998331324093
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1538 -2.9871562 -2.4000834 -2.3929544
1539 -2.9871562 -2.4000834 -2.3696392
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.67657356142779
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46560488478176
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.68760706384613
variable y0 equal ${yi}
variable y0 equal 6.50340765253535
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.74727117021515
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.50648560062877
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1539 -2.9871562 -2.4000834 -2.3696392
1540 -2.9871562 -2.4000834 -2.4024073
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.40240727661624
variable naccept equal ${increment}
variable naccept equal 355
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.01011228838607
variable y0 equal ${yi}
variable y0 equal 4.6700352584736
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.01414261141463
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.70482259148523
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1540 -2.9871562 -2.4024073 -2.4024073
1541 -2.9871562 -2.4024073 -2.398619
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.01011228838607
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.6700352584736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.51557409285624
variable y0 equal ${yi}
variable y0 equal 3.75448479218613
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.48506571768839
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.79474062485825
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1541 -2.9871562 -2.4024073 -2.398619
1542 -2.9871562 -2.4024073 -2.3734887
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.51557409285624
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.75448479218613
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.654104717174436
variable y0 equal ${yi}
variable y0 equal 6.49111358658304
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.623349864879514
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.45182680622568
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1542 -2.9871562 -2.4024073 -2.3734887
1543 -2.9871562 -2.4024073 -2.3889221
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.654104717174436
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.49111358658304
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.9899615760564
variable y0 equal ${yi}
variable y0 equal 4.5907792245762
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.98997799117557
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.51863608712121
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1543 -2.9871562 -2.4024073 -2.3889221
1544 -2.9871562 -2.4024073 -2.3393202
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.9899615760564
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.5907792245762
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.70897163351011
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.7654593741314
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1544 -2.9871562 -2.4024073 -2.3393202
1545 -2.9871562 -2.4024073 -2.3672502
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31064851680662
variable y0 equal ${yi}
variable y0 equal 1.91864991567201
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.33098243871595
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.91473032615251
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1545 -2.9871562 -2.4024073 -2.3672502
1546 -2.9871562 -2.4024073 -2.4028897
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.402889690925
variable naccept equal ${increment}
variable naccept equal 356
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.0769247591386
variable y0 equal ${yi}
variable y0 equal 8.24582147516306
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.31604041971262
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1546 -2.9871562 -2.4028897 -2.4028897
1547 -2.9871562 -2.4028897 -2.4135028
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.41350275655875
variable naccept equal ${increment}
variable naccept equal 357
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.99518160540611
variable y0 equal ${yi}
variable y0 equal 0.952992590177384
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.93669414240867
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.956166060674515
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1547 -2.9871562 -2.4135028 -2.4135028
1548 -2.9871562 -2.4135028 -2.4011092
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.99518160540611
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.952992590177384
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80623258868343
variable y0 equal ${yi}
variable y0 equal 6.50073292986383
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.76841570654995
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.49030009047021
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1548 -2.9871562 -2.4135028 -2.4011092
1549 -2.9871562 -2.4135028 -2.406732
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.80623258868343
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.50073292986383
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4157506708166
variable y0 equal ${yi}
variable y0 equal 6.43439372316829
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.4319753173849
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.37492761150829
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1549 -2.9871562 -2.4135028 -2.406732
1550 -2.9871562 -2.4135028 -2.3841926
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.4157506708166
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.43439372316829
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.35812983591767
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.60456684773166
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1550 -2.9871562 -2.4135028 -2.3841926
1551 -2.9871562 -2.4135028 -2.4029863
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.20183300415383
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.41552632179522
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1551 -2.9871562 -2.4135028 -2.4029863
1552 -2.9871562 -2.4135028 -2.4110719
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.11815181096249
variable y0 equal ${yi}
variable y0 equal 7.44427507248187
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.04148236830883
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.50534394111895
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1552 -2.9871562 -2.4135028 -2.4110719
1553 -2.9871562 -2.4135028 -2.4025804
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.11815181096249
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.44427507248187
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.20964491128483
variable y0 equal ${yi}
variable y0 equal 7.4096286090877
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.11934221744099
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.43679926719927
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1553 -2.9871562 -2.4135028 -2.4025804
1554 -2.9871562 -2.4135028 -2.3842954
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.20964491128483
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.4096286090877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72333437720424
variable y0 equal ${yi}
variable y0 equal 1.06102300475869
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.73376749077922
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.11453597139153
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1554 -2.9871562 -2.4135028 -2.3842954
1555 -2.9871562 -2.4135028 -2.3989597
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72333437720424
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.06102300475869
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.4157506708166
variable y0 equal ${yi}
variable y0 equal 6.43439372316829
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.359936702635
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.46727336184016
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1555 -2.9871562 -2.4135028 -2.3989597
1556 -2.9871562 -2.4135028 -2.4263412
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.42634115734079
variable naccept equal ${increment}
variable naccept equal 358
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.03264479040004
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.33840985216196
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1556 -2.9871562 -2.4263412 -2.4263412
1557 -2.9871562 -2.4263412 -2.4231086
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.14319008309395
variable y0 equal ${yi}
variable y0 equal 8.37685922302302
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.12701122481377
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.33418250001963
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1557 -2.9871562 -2.4263412 -2.4231086
1558 -2.9871562 -2.4263412 -2.4276285
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.42762852693561
variable naccept equal ${increment}
variable naccept equal 359
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.67657356142779
variable y0 equal ${yi}
variable y0 equal 6.46560488478176
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.68984863638659
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.46641751066677
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1558 -2.9871562 -2.4276285 -2.4276285
1559 -2.9871562 -2.4276285 -2.4281053
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.4281053079419
variable naccept equal ${increment}
variable naccept equal 360
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.42159998256932
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.3825335654285
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1559 -2.9871562 -2.4281053 -2.4281053
1560 -2.9871562 -2.4281053 -2.366014
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.20944970925065
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.86484851024217
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1560 -2.9871562 -2.4281053 -2.366014
1561 -2.9871562 -2.4281053 -2.3953244
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.67651214480181
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.4309720984846
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1561 -2.9871562 -2.4281053 -2.3953244
1562 -2.9871562 -2.4281053 -2.4095055
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.190625069137
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.76847841305864
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1562 -2.9871562 -2.4281053 -2.4095055
1563 -2.9871562 -2.4281053 -2.4160381
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.71175088165876
variable y0 equal ${yi}
variable y0 equal 5.71374509279924
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.66362923859236
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.65359488671022
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1563 -2.9871562 -2.4281053 -2.4160381
1564 -2.9871562 -2.4281053 -2.4433903
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.44339029158283
variable naccept equal ${increment}
variable naccept equal 361
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 7.00084288397476
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.84184651347497
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1564 -2.9871562 -2.4433903 -2.4433903
1565 -2.9871562 -2.4433903 -2.4409578
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54351456640837
variable y0 equal ${yi}
variable y0 equal 3.68936000628603
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.5929076838362
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.72936759753359
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1565 -2.9871562 -2.4433903 -2.4409578
1566 -2.9871562 -2.4433903 -2.4411512
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.54351456640837
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.68936000628603
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.65343800981474
variable y0 equal ${yi}
variable y0 equal 2.85940663787225
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.63744316299391
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.79807102652887
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1566 -2.9871562 -2.4433903 -2.4411512
1567 -2.9871562 -2.4433903 -2.432475
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.65343800981474
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.85940663787225
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.83833728988162
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.78881570073464
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1567 -2.9871562 -2.4433903 -2.432475
1568 -2.9871562 -2.4433903 -2.4197482
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.85332814427712
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.9899615760564
variable y0 equal ${yi}
variable y0 equal 4.5907792245762
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.9666222687482
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.61283609026834
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1568 -2.9871562 -2.4433903 -2.4197482
1569 -2.9871562 -2.4433903 -2.450896
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.45089604834326
variable naccept equal ${increment}
variable naccept equal 362
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.64134974360247
variable y0 equal ${yi}
variable y0 equal 0.972303231466143
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.64789438128252
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.922867055642931
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1569 -2.9871562 -2.450896 -2.450896
1570 -2.9871562 -2.450896 -2.4501527
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.64134974360247
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.972303231466143
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.91190459687701
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.9168249961982
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1570 -2.9871562 -2.450896 -2.4501527
1571 -2.9871562 -2.450896 -2.414906
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.85332814427712
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.79425577123594
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.71696392649575
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1571 -2.9871562 -2.450896 -2.414906
1572 -2.9871562 -2.450896 -2.442271
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.35099447487909
variable y0 equal ${yi}
variable y0 equal 1.92307773015564
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.31307516812402
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 2.0131173529393
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1572 -2.9871562 -2.450896 -2.442271
1573 -2.9871562 -2.450896 -2.4094404
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 33 x ${x0}
set atom 33 x 6.35099447487909
1 settings made for x
set atom $i y ${y0}
set atom 33 y ${y0}
set atom 33 y 1.92307773015564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.12701122481377
variable y0 equal ${yi}
variable y0 equal 8.33418250001963
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.10987235028298
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.24169441379603
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1573 -2.9871562 -2.450896 -2.4094404
1574 -2.9871562 -2.450896 -2.425377
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 98 x ${x0}
set atom 98 x 9.12701122481377
1 settings made for x
set atom $i y ${y0}
set atom 98 y ${y0}
set atom 98 y 8.33418250001963
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1148146752378
variable y0 equal ${yi}
variable y0 equal 4.54698911065027
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.1937845949194
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.50690371149942
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1574 -2.9871562 -2.450896 -2.425377
1575 -2.9871562 -2.450896 -2.4472713
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.1148146752378
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.54698911065027
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.46130012352677
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.61915866081912
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1575 -2.9871562 -2.450896 -2.4472713
1576 -2.9871562 -2.450896 -2.3933961
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.518098004260921
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.82347578975061
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1576 -2.9871562 -2.450896 -2.3933961
1577 -2.9871562 -2.450896 -2.4346731
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.570630665222075
variable y0 equal ${yi}
variable y0 equal 0.909747691858138
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.551106055179503
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.916648920286025
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1577 -2.9871562 -2.450896 -2.4346731
1578 -2.9871562 -2.450896 -2.4499629
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.570630665222075
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.909747691858138
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.19677552620278
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.74732179207933
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1578 -2.9871562 -2.450896 -2.4499629
1579 -2.9871562 -2.450896 -2.4469368
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.359936702635
variable y0 equal ${yi}
variable y0 equal 6.46727336184016
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.3705631975195
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.40602213875285
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1579 -2.9871562 -2.450896 -2.4469368
1580 -2.9871562 -2.450896 -2.4440866
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.359936702635
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.46727336184016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.74727117021515
variable y0 equal ${yi}
variable y0 equal 6.50648560062877
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.7040228505893
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.44690098301402
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1580 -2.9871562 -2.450896 -2.4440866
1581 -2.9871562 -2.450896 -2.4407533
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.74727117021515
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.50648560062877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.24272296507568
variable y0 equal ${yi}
variable y0 equal 0.0256201386451842
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.1565468915245
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 0.0289194703102233
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1581 -2.9871562 -2.450896 -2.4407533
1582 -2.9871562 -2.450896 -2.4177739
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.24272296507568
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.0256201386451842
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.22549367029878
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 2.01229957721299
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1582 -2.9871562 -2.450896 -2.4177739
1583 -2.9871562 -2.450896 -2.4198831
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.01011228838607
variable y0 equal ${yi}
variable y0 equal 4.6700352584736
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.03265675583526
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.71612462157174
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1583 -2.9871562 -2.450896 -2.4198831
1584 -2.9871562 -2.450896 -2.4468019
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.01011228838607
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.6700352584736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.32961675007554
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.36659027662539
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1584 -2.9871562 -2.450896 -2.4468019
1585 -2.9871562 -2.450896 -2.4463638
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87285548408023
variable y0 equal ${yi}
variable y0 equal 8.36937119878825
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.87724522311679
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.46197051919993
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1585 -2.9871562 -2.450896 -2.4463638
1586 -2.9871562 -2.450896 -2.4379866
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.36937119878825
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.33374774534913
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.43485917177462
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1586 -2.9871562 -2.450896 -2.4379866
1587 -2.9871562 -2.450896 -2.4464075
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.69106418092681
variable y0 equal ${yi}
variable y0 equal 0.920749815214004
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.77234693963958
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.824113794076766
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1587 -2.9871562 -2.450896 -2.4464075
1588 -2.9871562 -2.450896 -2.3879891
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.69106418092681
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.920749815214004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.72103913028669
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.65216712111398
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1588 -2.9871562 -2.450896 -2.3879891
1589 -2.9871562 -2.450896 -2.4497105
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.01815503238536
variable y0 equal ${yi}
variable y0 equal 2.72729808064798
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 7.92817657588817
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.75761023732523
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1589 -2.9871562 -2.450896 -2.4497105
1590 -2.9871562 -2.450896 -2.4216358
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.01815503238536
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.72729808064798
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.4949854779112
variable y0 equal ${yi}
variable y0 equal 0.0935324668884274
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.43935335157987
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.181804287433624
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1590 -2.9871562 -2.450896 -2.4216358
1591 -2.9871562 -2.450896 -2.3627865
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2436.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.4949854779112
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0935324668884274
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.19226642608205
variable y0 equal ${yi}
variable y0 equal 1.99900682351654
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.24639992475072
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.99716008088654
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1591 -2.9871562 -2.450896 -2.3627865
1592 -2.9871562 -2.450896 -2.44952
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.19226642608205
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.99900682351654
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.20775610844002
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.88048305890626
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1592 -2.9871562 -2.450896 -2.44952
1593 -2.9871562 -2.450896 -2.445357
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.32220930575448
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y -0.00712080001830696
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1593 -2.9871562 -2.450896 -2.445357
1594 -2.9871562 -2.450896 -2.4380856
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.19226642608205
variable y0 equal ${yi}
variable y0 equal 1.99900682351654
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.13920174598256
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.95148386142319
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1594 -2.9871562 -2.450896 -2.4380856
1595 -2.9871562 -2.450896 -2.4418101
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.19226642608205
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.99900682351654
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.66362923859236
variable y0 equal ${yi}
variable y0 equal 5.65359488671022
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.56943165539381
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.74421563093858
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1595 -2.9871562 -2.450896 -2.4418101
1596 -2.9871562 -2.450896 -2.3633962
Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms
2511.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.66362923859236
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.65359488671022
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.48253180264112
variable y0 equal ${yi}
variable y0 equal 1.83061694285935
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.44950131653425
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.89429413459366
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1596 -2.9871562 -2.450896 -2.3633962
1597 -2.9871562 -2.450896 -2.4099102
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.48253180264112
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.83061694285935
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.40152424652787
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.30963915910983
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1597 -2.9871562 -2.450896 -2.4099102
1598 -2.9871562 -2.450896 -2.3864102
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.66362923859236
variable y0 equal ${yi}
variable y0 equal 5.65359488671022
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.6686991858351
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.60080496018129
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1598 -2.9871562 -2.450896 -2.3864102
1599 -2.9871562 -2.450896 -2.446004
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.66362923859236
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.65359488671022
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.27225010791684
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.49067966070437
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1599 -2.9871562 -2.450896 -2.446004
1600 -2.9871562 -2.450896 -2.4338001
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.34481133619214
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.55117000665927
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1600 -2.9871562 -2.450896 -2.4338001
1601 -2.9871562 -2.450896 -2.4348585
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.30100279251004
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.47468527879977
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.19226642608205
variable y0 equal ${yi}
variable y0 equal 1.99900682351654
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.18523547410527
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.96640520474976
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1601 -2.9871562 -2.450896 -2.4348585
1602 -2.9871562 -2.450896 -2.4532371
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.45323711314221
variable naccept equal ${increment}
variable naccept equal 363
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.08689599949867
variable y0 equal ${yi}
variable y0 equal 4.81755102032586
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.05197459179909
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.83638495558663
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1602 -2.9871562 -2.4532371 -2.4532371
1603 -2.9871562 -2.4532371 -2.4336762
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.08689599949867
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.81755102032586
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.15410325844937
variable y0 equal ${yi}
variable y0 equal 3.75003771348131
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.19775084574872
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.69769621653688
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1603 -2.9871562 -2.4532371 -2.4336762
1604 -2.9871562 -2.4532371 -2.4350276
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.15410325844937
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.75003771348131
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.48253180264112
variable y0 equal ${yi}
variable y0 equal 1.83061694285935
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.50094277142164
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.79520596644944
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1604 -2.9871562 -2.4532371 -2.4350276
1605 -2.9871562 -2.4532371 -2.4589266
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.45892664860956
variable naccept equal ${increment}
variable naccept equal 364
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.21471879243412
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.81803830428255
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1605 -2.9871562 -2.4589266 -2.4589266
1606 -2.9871562 -2.4589266 -2.4408121
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.9666222687482
variable y0 equal ${yi}
variable y0 equal 4.61283609026834
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.90822091062061
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.56071637028619
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1606 -2.9871562 -2.4589266 -2.4408121
1607 -2.9871562 -2.4589266 -2.4064133
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.9666222687482
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.61283609026834
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87285548408023
variable y0 equal ${yi}
variable y0 equal 8.36937119878825
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.82706710059634
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.37034611620006
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1607 -2.9871562 -2.4589266 -2.4064133
1608 -2.9871562 -2.4589266 -2.4504734
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.36937119878825
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.18803927341805
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.80503235242433
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1608 -2.9871562 -2.4589266 -2.4504734
1609 -2.9871562 -2.4589266 -2.4441883
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 1.04039912541561
variable y0 equal ${yi}
variable y0 equal 5.56148483698564
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 1.09504661877804
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.64389145319658
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1609 -2.9871562 -2.4589266 -2.4441883
1610 -2.9871562 -2.4589266 -2.4363972
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 63 x ${x0}
set atom 63 x 1.04039912541561
1 settings made for x
set atom $i y ${y0}
set atom 63 y ${y0}
set atom 63 y 5.56148483698564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.87741336464225
variable y0 equal ${yi}
variable y0 equal 6.4556893421792
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.92132080435096
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.46895430819025
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1610 -2.9871562 -2.4589266 -2.4363972
1611 -2.9871562 -2.4589266 -2.4578566
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.87741336464225
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.4556893421792
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.15410325844937
variable y0 equal ${yi}
variable y0 equal 3.75003771348131
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.15496849139386
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.68203727765215
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1611 -2.9871562 -2.4589266 -2.4578566
1612 -2.9871562 -2.4589266 -2.4507873
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.15410325844937
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.75003771348131
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.06400009988643
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.28575677789743
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1612 -2.9871562 -2.4589266 -2.4507873
1613 -2.9871562 -2.4589266 -2.4574311
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.2292649034519
variable y0 equal ${yi}
variable y0 equal 0.913150580633014
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.2236426238079
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.976471753824085
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1613 -2.9871562 -2.4589266 -2.4574311
1614 -2.9871562 -2.4589266 -2.4542614
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.2292649034519
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.913150580633014
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.82822895883855
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.37954178966578
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1614 -2.9871562 -2.4589266 -2.4542614
1615 -2.9871562 -2.4589266 -2.4578942
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.15111655909569
variable y0 equal ${yi}
variable y0 equal 6.52915453449718
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.09967429358513
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.50012155310146
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1615 -2.9871562 -2.4589266 -2.4578942
1616 -2.9871562 -2.4589266 -2.44151
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.15111655909569
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.52915453449718
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 0.0228117227554322
variable y0 equal ${yi}
variable y0 equal 1.82412650964326
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x -0.0191932797431945
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.84549867293901
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1616 -2.9871562 -2.4589266 -2.44151
1617 -2.9871562 -2.4589266 -2.4626071
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.4626070936077
variable naccept equal ${increment}
variable naccept equal 365
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.76422745464919
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.4483330043819
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1617 -2.9871562 -2.4626071 -2.4626071
1618 -2.9871562 -2.4626071 -2.4366013
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1299862031003
variable y0 equal ${yi}
variable y0 equal 8.32108940996227
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.131702781107
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.31063791431484
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1618 -2.9871562 -2.4626071 -2.4366013
1619 -2.9871562 -2.4626071 -2.462509
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.46250898762821
variable naccept equal ${increment}
variable naccept equal 366
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.33098243871595
variable y0 equal ${yi}
variable y0 equal 1.91473032615251
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.37719469467069
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.88595927140779
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1619 -2.9871562 -2.462509 -2.462509
1620 -2.9871562 -2.462509 -2.4552999
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.33098243871595
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.91473032615251
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.69106418092681
variable y0 equal ${yi}
variable y0 equal 0.920749815214004
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.74029633005096
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.888885195958938
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1620 -2.9871562 -2.462509 -2.4552999
1621 -2.9871562 -2.462509 -2.4490736
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.69106418092681
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.920749815214004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.90128215193092
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.91705642911294
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1621 -2.9871562 -2.462509 -2.4490736
1622 -2.9871562 -2.462509 -2.4470635
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.85868977280953
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.46853647072088
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y -0.0272998213768005
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1622 -2.9871562 -2.462509 -2.4470635
1623 -2.9871562 -2.462509 -2.4522103
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07343188841992
variable y0 equal ${yi}
variable y0 equal 1.85961672446793
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.10123204310589
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.81472272059983
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1623 -2.9871562 -2.462509 -2.4522103
1624 -2.9871562 -2.462509 -2.4543591
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.07343188841992
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.85961672446793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.30053722937318
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.83869626901216
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1624 -2.9871562 -2.462509 -2.4543591
1625 -2.9871562 -2.462509 -2.4438595
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.71264111001922
variable y0 equal ${yi}
variable y0 equal 8.37165092147884
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.76135702331497
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.38866988338527
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1625 -2.9871562 -2.462509 -2.4438595
1626 -2.9871562 -2.462509 -2.4576791
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.71264111001922
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.37165092147884
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.64134974360247
variable y0 equal ${yi}
variable y0 equal 0.972303231466143
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.60214187979479
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.896476121652453
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1626 -2.9871562 -2.462509 -2.4576791
1627 -2.9871562 -2.462509 -2.4621171
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.64134974360247
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.972303231466143
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87285548408023
variable y0 equal ${yi}
variable y0 equal 8.36937119878825
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.96364414651385
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.37514538682994
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1627 -2.9871562 -2.462509 -2.4621171
1628 -2.9871562 -2.462509 -2.4576648
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.36937119878825
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.27833752393284
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.71727128787172
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1628 -2.9871562 -2.462509 -2.4576648
1629 -2.9871562 -2.462509 -2.4607841
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.12701122481377
variable y0 equal ${yi}
variable y0 equal 8.33418250001963
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.09545654971154
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.37382508434351
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1629 -2.9871562 -2.462509 -2.4607841
1630 -2.9871562 -2.462509 -2.4666251
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.46662511657156
variable naccept equal ${increment}
variable naccept equal 367
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.66362923859236
variable y0 equal ${yi}
variable y0 equal 5.65359488671022
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.66060930966017
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.5690174454947
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1630 -2.9871562 -2.4666251 -2.4666251
1631 -2.9871562 -2.4666251 -2.4482748
Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.66362923859236
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.65359488671022
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.17450014113943
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 0.112668931484232
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1631 -2.9871562 -2.4666251 -2.4482748
1632 -2.9871562 -2.4666251 -2.4383935
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.20964491128483
variable y0 equal ${yi}
variable y0 equal 7.4096286090877
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.19481903075733
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.44160034981036
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1632 -2.9871562 -2.4666251 -2.4383935
1633 -2.9871562 -2.4666251 -2.465622
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.20964491128483
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.4096286090877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.76677564898617
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.77941135140756
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1633 -2.9871562 -2.4666251 -2.465622
1634 -2.9871562 -2.4666251 -2.453689
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.85977786752084
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.96878697831622
variable y0 equal ${yi}
variable y0 equal 6.53832680717936
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 6.06502076346866
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.48564515844813
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1634 -2.9871562 -2.4666251 -2.453689
1635 -2.9871562 -2.4666251 -2.4572285
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.96878697831622
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.53832680717936
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.50137958366643
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.52677786674762
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1635 -2.9871562 -2.4666251 -2.4572285
1636 -2.9871562 -2.4666251 -2.450463
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.39596144993078
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.0906584620475769
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1636 -2.9871562 -2.4666251 -2.450463
1637 -2.9871562 -2.4666251 -2.4633049
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89080204048797
variable y0 equal ${yi}
variable y0 equal 0.962413962591011
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.86287730017349
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.951794262636024
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1637 -2.9871562 -2.4666251 -2.4633049
1638 -2.9871562 -2.4666251 -2.4648901
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.89080204048797
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.962413962591011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1148146752378
variable y0 equal ${yi}
variable y0 equal 4.54698911065027
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.07712940016
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.48238494748041
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1638 -2.9871562 -2.4666251 -2.4648901
1639 -2.9871562 -2.4666251 -2.4426076
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.1148146752378
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.54698911065027
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54351456640837
variable y0 equal ${yi}
variable y0 equal 3.68936000628603
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.54554458140013
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.70140816731585
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1639 -2.9871562 -2.4666251 -2.4426076
1640 -2.9871562 -2.4666251 -2.4671617
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.46716169941917
variable naccept equal ${increment}
variable naccept equal 368
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.71264111001922
variable y0 equal ${yi}
variable y0 equal 8.37165092147884
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.6167845745845
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.35465121187267
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1640 -2.9871562 -2.4671617 -2.4671617
1641 -2.9871562 -2.4671617 -2.4464315
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.71264111001922
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.37165092147884
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.50094277142164
variable y0 equal ${yi}
variable y0 equal 1.79520596644944
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.55225925921079
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.71296000859803
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1641 -2.9871562 -2.4671617 -2.4464315
1642 -2.9871562 -2.4671617 -2.4553738
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.50094277142164
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.79520596644944
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.88636125603363
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.82424732419351
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1642 -2.9871562 -2.4671617 -2.4553738
1643 -2.9871562 -2.4671617 -2.4529937
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.55546174207155
variable y0 equal ${yi}
variable y0 equal 5.67337435429292
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.47806070008699
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.58760313933091
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1643 -2.9871562 -2.4671617 -2.4529937
1644 -2.9871562 -2.4671617 -2.428178
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.55546174207155
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67337435429292
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89080204048797
variable y0 equal ${yi}
variable y0 equal 0.962413962591011
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.9791251329486
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.934152837503273
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1644 -2.9871562 -2.4671617 -2.428178
1645 -2.9871562 -2.4671617 -2.4467893
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.89080204048797
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.962413962591011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.23416667381193
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y -0.0174432516098047
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1645 -2.9871562 -2.4671617 -2.4467893
1646 -2.9871562 -2.4671617 -2.4496528
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.07584694067344
variable y0 equal ${yi}
variable y0 equal 0.00976005792616981
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.17492892185554
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y -0.0125086307525716
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1646 -2.9871562 -2.4671617 -2.4496528
1647 -2.9871562 -2.4671617 -2.4657715
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.07584694067344
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 0.00976005792616981
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.85675258595935
variable y0 equal ${yi}
variable y0 equal 0.888840575921863
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.84254707057468
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.912364717233509
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1647 -2.9871562 -2.4671617 -2.4657715
1648 -2.9871562 -2.4671617 -2.4714197
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.47141970084112
variable naccept equal ${increment}
variable naccept equal 369
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78193971434718
variable y0 equal ${yi}
variable y0 equal 8.31736352361736
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.82089993277675
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.31658048547802
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1648 -2.9871562 -2.4714197 -2.4714197
1649 -2.9871562 -2.4714197 -2.4654959
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78193971434718
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.31736352361736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.71264111001922
variable y0 equal ${yi}
variable y0 equal 8.37165092147884
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.66236852605773
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.37839212335643
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1649 -2.9871562 -2.4714197 -2.4654959
1650 -2.9871562 -2.4714197 -2.4676988
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.71264111001922
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.37165092147884
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.08689599949867
variable y0 equal ${yi}
variable y0 equal 4.81755102032586
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 8.99947237689049
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.91237208002969
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1650 -2.9871562 -2.4714197 -2.4676988
1651 -2.9871562 -2.4714197 -2.3324352
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.08689599949867
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.81755102032586
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.4949854779112
variable y0 equal ${yi}
variable y0 equal 0.0935324668884274
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.46372898100492
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.174446022510528
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1651 -2.9871562 -2.4714197 -2.3324352
1652 -2.9871562 -2.4714197 -2.4131231
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.4949854779112
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0935324668884274
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.33098243871595
variable y0 equal ${yi}
variable y0 equal 1.91473032615251
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.27070095935728
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.96737765452928
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1652 -2.9871562 -2.4714197 -2.4131231
1653 -2.9871562 -2.4714197 -2.4500803
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.33098243871595
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.91473032615251
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.241893279936
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.78334926339486
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1653 -2.9871562 -2.4714197 -2.4500803
1654 -2.9871562 -2.4714197 -2.4655428
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.78276804658273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.41077113548186
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.58289376442628
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1654 -2.9871562 -2.4714197 -2.4655428
1655 -2.9871562 -2.4714197 -2.4683223
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.64134974360247
variable y0 equal ${yi}
variable y0 equal 0.972303231466143
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.6009168970563
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.937610264528124
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1655 -2.9871562 -2.4714197 -2.4683223
1656 -2.9871562 -2.4714197 -2.4739629
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.47396293244314
variable naccept equal ${increment}
variable naccept equal 370
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 7.01762646713897
variable y0 equal ${yi}
variable y0 equal 8.4145590535551
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.37164120592174
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1656 -2.9871562 -2.4739629 -2.4739629
1657 -2.9871562 -2.4739629 -2.47647
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.47647000740908
variable naccept equal ${increment}
variable naccept equal 371
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80623258868343
variable y0 equal ${yi}
variable y0 equal 6.50073292986383
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.80638530770427
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.41947159306039
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1657 -2.9871562 -2.47647 -2.47647
1658 -2.9871562 -2.47647 -2.4541469
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.80623258868343
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.50073292986383
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72333437720424
variable y0 equal ${yi}
variable y0 equal 1.06102300475869
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.7615873269189
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.14926235269341
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1658 -2.9871562 -2.47647 -2.4541469
1659 -2.9871562 -2.47647 -2.4318808
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72333437720424
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.06102300475869
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.548666758933925
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.70049442025522
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1659 -2.9871562 -2.47647 -2.4318808
1660 -2.9871562 -2.47647 -2.467211
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2436.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.24272296507568
variable y0 equal ${yi}
variable y0 equal 0.0256201386451842
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.27172728855819
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 0.0813508152961852
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1660 -2.9871562 -2.47647 -2.467211
1661 -2.9871562 -2.47647 -2.4667626
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.24272296507568
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.0256201386451842
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.11692139505245
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.31449487127359
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1661 -2.9871562 -2.47647 -2.4667626
1662 -2.9871562 -2.47647 -2.4616534
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0322040319442937
variable y0 equal ${yi}
variable y0 equal 7.38692112293505
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 0.109834313392658
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.30399232235216
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1662 -2.9871562 -2.47647 -2.4616534
1663 -2.9871562 -2.47647 -2.4471618
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.38692112293505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.09958864171057
variable y0 equal ${yi}
variable y0 equal 2.75573046180108
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.00038189608603
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.77142339917519
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1663 -2.9871562 -2.47647 -2.4471618
1664 -2.9871562 -2.47647 -2.4588344
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.09958864171057
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.75573046180108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.44088740506594
variable y0 equal ${yi}
variable y0 equal 9.25733234393924
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.37250555911486
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.34413278806537
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1664 -2.9871562 -2.47647 -2.4588344
1665 -2.9871562 -2.47647 -2.421037
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.44088740506594
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.25733234393924
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.55320945858736
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.29087889112529
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1665 -2.9871562 -2.47647 -2.421037
1666 -2.9871562 -2.47647 -2.4528968
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68984863638659
variable y0 equal ${yi}
variable y0 equal 6.46641751066677
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.63580374598284
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.44763776794903
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1666 -2.9871562 -2.47647 -2.4528968
1667 -2.9871562 -2.47647 -2.4670904
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68984863638659
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46641751066677
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.20964491128483
variable y0 equal ${yi}
variable y0 equal 7.4096286090877
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.14378951549092
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.47022236910128
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1667 -2.9871562 -2.47647 -2.4670904
1668 -2.9871562 -2.47647 -2.4577131
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.20964491128483
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.4096286090877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.55546174207155
variable y0 equal ${yi}
variable y0 equal 5.67337435429292
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.5014714018387
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.59029105847078
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1668 -2.9871562 -2.47647 -2.4577131
1669 -2.9871562 -2.47647 -2.4509308
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.55546174207155
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67337435429292
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54554458140013
variable y0 equal ${yi}
variable y0 equal 3.70140816731585
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.44731051205275
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.607225735618
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1669 -2.9871562 -2.47647 -2.4509308
1670 -2.9871562 -2.47647 -2.368799
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.54554458140013
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.70140816731585
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.55546174207155
variable y0 equal ${yi}
variable y0 equal 5.67337435429292
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.48661756673281
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.73395479862886
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1670 -2.9871562 -2.47647 -2.368799
1671 -2.9871562 -2.47647 -2.4071873
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.55546174207155
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67337435429292
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.49348578610842
variable y0 equal ${yi}
variable y0 equal 1.80821938893861
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.45325187602465
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.81180926940507
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1671 -2.9871562 -2.47647 -2.4071873
1672 -2.9871562 -2.47647 -2.4801572
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.48015720214087
variable naccept equal ${increment}
variable naccept equal 372
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.4949854779112
variable y0 equal ${yi}
variable y0 equal 0.0935324668884274
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.40067303656217
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.147239625453949
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1672 -2.9871562 -2.4801572 -2.4801572
1673 -2.9871562 -2.4801572 -2.4008324
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.4949854779112
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0935324668884274
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.01815503238536
variable y0 equal ${yi}
variable y0 equal 2.72729808064798
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.03411150573588
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.82439221116403
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1673 -2.9871562 -2.4801572 -2.4008324
1674 -2.9871562 -2.4801572 -2.4671513
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.01815503238536
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.72729808064798
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.131702781107
variable y0 equal ${yi}
variable y0 equal 8.31063791431484
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1418738488217
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.22159374870357
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1674 -2.9871562 -2.4801572 -2.4671513
1675 -2.9871562 -2.4801572 -2.45394
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.131702781107
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.31063791431484
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.63001570582171
variable y0 equal ${yi}
variable y0 equal 2.83223057957987
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.55264944910784
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.74963378878931
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1675 -2.9871562 -2.4801572 -2.45394
1676 -2.9871562 -2.4801572 -2.471715
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.63001570582171
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.83223057957987
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.18523547410527
variable y0 equal ${yi}
variable y0 equal 1.96640520474976
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.18107619046727
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 2.05504829070633
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1676 -2.9871562 -2.4801572 -2.471715
1677 -2.9871562 -2.4801572 -2.4578969
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.18523547410527
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.96640520474976
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 6.99553199091598
variable y0 equal ${yi}
variable y0 equal 8.37164120592174
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 6.96789559403106
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.43197524465618
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1677 -2.9871562 -2.4801572 -2.4578969
1678 -2.9871562 -2.4801572 -2.47917
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.37164120592174
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.30100279251004
variable y0 equal ${yi}
variable y0 equal 7.47468527879977
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.35422850051785
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.41203050937915
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1678 -2.9871562 -2.4801572 -2.47917
1679 -2.9871562 -2.4801572 -2.4944438
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.49444375028856
variable naccept equal ${increment}
variable naccept equal 373
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 74
variable x0 equal ${xi}
variable x0 equal 7.09398345032379
variable y0 equal ${yi}
variable y0 equal 6.52802731529703
set atom $i x ${xnew}
set atom 74 x ${xnew}
set atom 74 x 7.04742242375061
1 settings made for x
set atom $i y ${ynew}
set atom 74 y ${ynew}
set atom 74 y 6.46128811375131
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1679 -2.9871562 -2.4944438 -2.4944438
1680 -2.9871562 -2.4944438 -2.4951883
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.49518834111784
variable naccept equal ${increment}
variable naccept equal 374
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54554458140013
variable y0 equal ${yi}
variable y0 equal 3.70140816731585
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.58570396183607
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.74172507090701
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1680 -2.9871562 -2.4951883 -2.4951883
1681 -2.9871562 -2.4951883 -2.4893537
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.54554458140013
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.70140816731585
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.2237404827139
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.87990647527078
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1681 -2.9871562 -2.4951883 -2.4893537
1682 -2.9871562 -2.4951883 -2.479309
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.78276804658273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.570630665222075
variable y0 equal ${yi}
variable y0 equal 0.909747691858138
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.650206466117766
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.871615107763137
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1682 -2.9871562 -2.4951883 -2.479309
1683 -2.9871562 -2.4951883 -2.4679691
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.570630665222075
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.909747691858138
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.88550445357448
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.86145157786706
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1683 -2.9871562 -2.4951883 -2.4679691
1684 -2.9871562 -2.4951883 -2.4783619
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.85977786752084
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80623258868343
variable y0 equal ${yi}
variable y0 equal 6.50073292986383
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.79833728591091
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.45531866089334
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1684 -2.9871562 -2.4951883 -2.4783619
1685 -2.9871562 -2.4951883 -2.4870612
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.80623258868343
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.50073292986383
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.6111590226346
variable y0 equal ${yi}
variable y0 equal 9.22944378364413
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.6229970176869
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.18818654525607
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1685 -2.9871562 -2.4951883 -2.4870612
1686 -2.9871562 -2.4951883 -2.4878366
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.6111590226346
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.22944378364413
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.11815181096249
variable y0 equal ${yi}
variable y0 equal 7.44427507248187
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.15688115676098
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.3488747271564
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1686 -2.9871562 -2.4951883 -2.4878366
1687 -2.9871562 -2.4951883 -2.4767074
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.11815181096249
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.44427507248187
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.77766234516441
variable y0 equal ${yi}
variable y0 equal 0.927607925641864
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.71939723133384
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.890196736562579
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1687 -2.9871562 -2.4951883 -2.4767074
1688 -2.9871562 -2.4951883 -2.4786
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.927607925641864
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.24272296507568
variable y0 equal ${yi}
variable y0 equal 0.0256201386451842
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.29355685789795
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 0.0588366866111876
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1688 -2.9871562 -2.4951883 -2.4786
1689 -2.9871562 -2.4951883 -2.4863956
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.24272296507568
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.0256201386451842
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.39495646158125
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0706821441650366
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1689 -2.9871562 -2.4951883 -2.4863956
1690 -2.9871562 -2.4951883 -2.4654216
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.55128679433291
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.43494105663563
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1690 -2.9871562 -2.4951883 -2.4654216
1691 -2.9871562 -2.4951883 -2.4864511
Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.11815181096249
variable y0 equal ${yi}
variable y0 equal 7.44427507248187
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.16958295424633
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.50933714237475
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1691 -2.9871562 -2.4951883 -2.4864511
1692 -2.9871562 -2.4951883 -2.4732912
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.11815181096249
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.44427507248187
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.55546174207155
variable y0 equal ${yi}
variable y0 equal 5.67337435429292
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.48119956412737
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.65949252789216
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1692 -2.9871562 -2.4951883 -2.4732912
1693 -2.9871562 -2.4951883 -2.4663966
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.55546174207155
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67337435429292
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 7.02145066538498
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.81503593894341
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1693 -2.9871562 -2.4951883 -2.4663966
1694 -2.9871562 -2.4951883 -2.487476
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.73327985008192
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.59383653754159
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1694 -2.9871562 -2.4951883 -2.487476
1695 -2.9871562 -2.4951883 -2.4784214
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.131702781107
variable y0 equal ${yi}
variable y0 equal 8.31063791431484
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.0656125787755
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.24207219995556
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1695 -2.9871562 -2.4951883 -2.4784214
1696 -2.9871562 -2.4951883 -2.4504695
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.131702781107
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.31063791431484
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.66362923859236
variable y0 equal ${yi}
variable y0 equal 5.65359488671022
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.59307392119047
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.58392617647844
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1696 -2.9871562 -2.4951883 -2.4504695
1697 -2.9871562 -2.4951883 -2.4522836
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.66362923859236
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.65359488671022
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.2245931927334
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.61430882160859
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1697 -2.9871562 -2.4951883 -2.4522836
1698 -2.9871562 -2.4951883 -2.491508
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68984863638659
variable y0 equal ${yi}
variable y0 equal 6.46641751066677
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.7109760272481
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.49060356155865
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1698 -2.9871562 -2.4951883 -2.491508
1699 -2.9871562 -2.4951883 -2.4946728
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68984863638659
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46641751066677
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.51557409285624
variable y0 equal ${yi}
variable y0 equal 3.75448479218613
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.54187380789835
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.69490446610581
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1699 -2.9871562 -2.4951883 -2.4946728
1700 -2.9871562 -2.4951883 -2.4883114
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.51557409285624
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.75448479218613
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7265060384922
variable y0 equal ${yi}
variable y0 equal 1.84549867293901
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.738069279974
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.92660813710756
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1700 -2.9871562 -2.4951883 -2.4883114
1701 -2.9871562 -2.4951883 -2.4841252
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 10.7265060384922
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.84549867293901
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.1148146752378
variable y0 equal ${yi}
variable y0 equal 4.54698911065027
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.146871400263
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.57325408810541
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1701 -2.9871562 -2.4951883 -2.4841252
1702 -2.9871562 -2.4951883 -2.4978344
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.49783441463249
variable naccept equal ${increment}
variable naccept equal 375
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.28501934766331
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.68072371049059
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1702 -2.9871562 -2.4978344 -2.4978344
1703 -2.9871562 -2.4978344 -2.4860441
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 1.04039912541561
variable y0 equal ${yi}
variable y0 equal 5.56148483698564
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 1.1005728276556
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.64032372181611
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1703 -2.9871562 -2.4978344 -2.4860441
1704 -2.9871562 -2.4978344 -2.4779233
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 63 x ${x0}
set atom 63 x 1.04039912541561
1 settings made for x
set atom $i y ${y0}
set atom 63 y ${y0}
set atom 63 y 5.56148483698564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.44717097996789
variable y0 equal ${yi}
variable y0 equal 5.51531081145007
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.43005772351342
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.48158835118014
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1704 -2.9871562 -2.4978344 -2.4779233
1705 -2.9871562 -2.4978344 -2.4828354
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.44717097996789
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.51531081145007
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.131702781107
variable y0 equal ${yi}
variable y0 equal 8.31063791431484
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.0923128608723
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.23189141668377
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1705 -2.9871562 -2.4978344 -2.4828354
1706 -2.9871562 -2.4978344 -2.4607988
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.131702781107
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.31063791431484
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.01011228838607
variable y0 equal ${yi}
variable y0 equal 4.6700352584736
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.09560692587539
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.68280859345361
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1706 -2.9871562 -2.4978344 -2.4607988
1707 -2.9871562 -2.4978344 -2.4964112
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.01011228838607
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.6700352584736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.66362923859236
variable y0 equal ${yi}
variable y0 equal 5.65359488671022
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.73428105591414
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.70619242136674
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1707 -2.9871562 -2.4978344 -2.4964112
1708 -2.9871562 -2.4978344 -2.4791472
Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.66362923859236
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.65359488671022
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07343188841992
variable y0 equal ${yi}
variable y0 equal 1.85961672446793
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.15914738495999
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.81917400739258
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1708 -2.9871562 -2.4978344 -2.4791472
1709 -2.9871562 -2.4978344 -2.4802019
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.07343188841992
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.85961672446793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.84254707057468
variable y0 equal ${yi}
variable y0 equal 0.912364717233509
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.87132241685382
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.825371380555958
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1709 -2.9871562 -2.4978344 -2.4802019
1710 -2.9871562 -2.4978344 -2.4697481
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.84254707057468
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.912364717233509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.63001570582171
variable y0 equal ${yi}
variable y0 equal 2.83223057957987
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.63323100685854
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.85240044566492
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1710 -2.9871562 -2.4978344 -2.4697481
1711 -2.9871562 -2.4978344 -2.4944899
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.63001570582171
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.83223057957987
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 6.99553199091598
variable y0 equal ${yi}
variable y0 equal 8.37164120592174
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.0241800693576
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.39118226684627
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1711 -2.9871562 -2.4978344 -2.4944899
1712 -2.9871562 -2.4978344 -2.4952603
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.37164120592174
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0322040319442937
variable y0 equal ${yi}
variable y0 equal 7.38692112293505
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x -0.0669728040695003
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.44679752912783
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1712 -2.9871562 -2.4978344 -2.4952603
1713 -2.9871562 -2.4978344 -2.4749258
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.38692112293505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.44088740506594
variable y0 equal ${yi}
variable y0 equal 9.25733234393924
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.37793935695116
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.30804768312305
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1713 -2.9871562 -2.4978344 -2.4749258
1714 -2.9871562 -2.4978344 -2.4536803
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.44088740506594
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.25733234393924
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.08689599949867
variable y0 equal ${yi}
variable y0 equal 4.81755102032586
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.15777814108879
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.88041102045937
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1714 -2.9871562 -2.4978344 -2.4536803
1715 -2.9871562 -2.4978344 -2.4575964
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.08689599949867
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.81755102032586
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 0.0739950656890791
variable y0 equal ${yi}
variable y0 equal 3.67012049718035
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 0.0431623816490095
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.68648581071032
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1715 -2.9871562 -2.4978344 -2.4575964
1716 -2.9871562 -2.4978344 -2.5025606
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.50256055701607
variable naccept equal ${increment}
variable naccept equal 376
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.69106418092681
variable y0 equal ${yi}
variable y0 equal 0.920749815214004
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.72476402719451
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.906897528875198
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1716 -2.9871562 -2.5025606 -2.5025606
1717 -2.9871562 -2.5025606 -2.4953997
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.69106418092681
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.920749815214004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.96878697831622
variable y0 equal ${yi}
variable y0 equal 6.53832680717936
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.98550258834353
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.47227353588572
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1717 -2.9871562 -2.5025606 -2.4953997
1718 -2.9871562 -2.5025606 -2.5033651
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.50336514283327
variable naccept equal ${increment}
variable naccept equal 377
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.01956139205791
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.33509240068491
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1718 -2.9871562 -2.5033651 -2.5033651
1719 -2.9871562 -2.5033651 -2.5022008
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 0.984874358970454
variable y0 equal ${yi}
variable y0 equal 9.19249844062656
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 0.965262642700007
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.22464752900928
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1719 -2.9871562 -2.5033651 -2.5022008
1720 -2.9871562 -2.5033651 -2.5069915
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.50699147459164
variable naccept equal ${increment}
variable naccept equal 378
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.44717097996789
variable y0 equal ${yi}
variable y0 equal 5.51531081145007
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.39928246258813
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.60194510166842
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1720 -2.9871562 -2.5069915 -2.5069915
1721 -2.9871562 -2.5069915 -2.4868277
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.44717097996789
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.51531081145007
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.89668607353508
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.86551007005074
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1721 -2.9871562 -2.5069915 -2.4868277
1722 -2.9871562 -2.5069915 -2.5060709
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.85868977280953
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.17336812098237
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.9709445872075
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1722 -2.9871562 -2.5069915 -2.5060709
1723 -2.9871562 -2.5069915 -2.4713897
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.56329734165441
variable y0 equal ${yi}
variable y0 equal 3.72885418696535
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.49549213487875
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.75434667630327
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1723 -2.9871562 -2.5069915 -2.4713897
1724 -2.9871562 -2.5069915 -2.5024893
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.56329734165441
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.72885418696535
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.2292649034519
variable y0 equal ${yi}
variable y0 equal 0.913150580633014
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.20556546488
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.955296619642108
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1724 -2.9871562 -2.5069915 -2.5024893
1725 -2.9871562 -2.5069915 -2.5070767
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.50707673760221
variable naccept equal ${increment}
variable naccept equal 379
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.18523547410527
variable y0 equal ${yi}
variable y0 equal 1.96640520474976
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.21123574733296
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 2.02760801694458
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1725 -2.9871562 -2.5070767 -2.5070767
1726 -2.9871562 -2.5070767 -2.4999908
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.18523547410527
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.96640520474976
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89080204048797
variable y0 equal ${yi}
variable y0 equal 0.962413962591011
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.94979257860824
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.918976565111
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1726 -2.9871562 -2.5070767 -2.4999908
1727 -2.9871562 -2.5070767 -2.4975829
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.89080204048797
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.962413962591011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72333437720424
variable y0 equal ${yi}
variable y0 equal 1.06102300475869
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.6418524078477
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.14254684041772
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1727 -2.9871562 -2.5070767 -2.4975829
1728 -2.9871562 -2.5070767 -2.4560799
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72333437720424
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.06102300475869
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.31808795690099
variable y0 equal ${yi}
variable y0 equal 5.6091846699019
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.22073697804967
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.624910497119
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1728 -2.9871562 -2.5070767 -2.4560799
1729 -2.9871562 -2.5070767 -2.4900357
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.31808795690099
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.6091846699019
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.586355228820705
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.76345570060113
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1729 -2.9871562 -2.5070767 -2.4900357
1730 -2.9871562 -2.5070767 -2.504178
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.25063434282647
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.79518518827027
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1730 -2.9871562 -2.5070767 -2.504178
1731 -2.9871562 -2.5070767 -2.4664951
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.95269535421668
variable y0 equal ${yi}
variable y0 equal 4.50253551358148
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.87296666740714
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.47512785548135
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1731 -2.9871562 -2.5070767 -2.4664951
1732 -2.9871562 -2.5070767 -2.4621364
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.95269535421668
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.50253551358148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.20556546488
variable y0 equal ${yi}
variable y0 equal 0.955296619642108
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.2914436940212
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.94780113290581
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1732 -2.9871562 -2.5070767 -2.4621364
1733 -2.9871562 -2.5070767 -2.4925868
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.20556546488
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.955296619642108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.29556680996629
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.61288714354236
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1733 -2.9871562 -2.5070767 -2.4925868
1734 -2.9871562 -2.5070767 -2.4840706
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.59896482069265
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.40544650879169
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1734 -2.9871562 -2.5070767 -2.4840706
1735 -2.9871562 -2.5070767 -2.4956993
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.01815503238536
variable y0 equal ${yi}
variable y0 equal 2.72729808064798
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.11439363359309
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.76781226369241
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1735 -2.9871562 -2.5070767 -2.4956993
1736 -2.9871562 -2.5070767 -2.4867735
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.01815503238536
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.72729808064798
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.65343800981474
variable y0 equal ${yi}
variable y0 equal 2.85940663787225
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.7366381545825
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.9062090751777
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1736 -2.9871562 -2.5070767 -2.4867735
1737 -2.9871562 -2.5070767 -2.4949589
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.65343800981474
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.85940663787225
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.95269535421668
variable y0 equal ${yi}
variable y0 equal 4.50253551358148
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.86517718672095
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.4484424387829
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1737 -2.9871562 -2.5070767 -2.4949589
1738 -2.9871562 -2.5070767 -2.4022901
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.95269535421668
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.50253551358148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.11262856165276
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.76798061511583
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1738 -2.9871562 -2.5070767 -2.4022901
1739 -2.9871562 -2.5070767 -2.4868289
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.4949854779112
variable y0 equal ${yi}
variable y0 equal 0.0935324668884274
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.43579446552869
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.0599062919616696
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1739 -2.9871562 -2.5070767 -2.4868289
1740 -2.9871562 -2.5070767 -2.495524
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.4949854779112
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0935324668884274
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.45325187602465
variable y0 equal ${yi}
variable y0 equal 1.81180926940507
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.38434524693911
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.87584792754716
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1740 -2.9871562 -2.5070767 -2.495524
1741 -2.9871562 -2.5070767 -2.4758131
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 37 x ${x0}
set atom 37 x 8.45325187602465
1 settings made for x
set atom $i y ${y0}
set atom 37 y ${y0}
set atom 37 y 1.81180926940507
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.44717097996789
variable y0 equal ${yi}
variable y0 equal 5.51531081145007
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.49922751902657
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.52039463465411
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1741 -2.9871562 -2.5070767 -2.4758131
1742 -2.9871562 -2.5070767 -2.50704
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.50703999488522
variable naccept equal ${increment}
variable naccept equal 380
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.21577291567536
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.88364169976777
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1742 -2.9871562 -2.50704 -2.50704
1743 -2.9871562 -2.50704 -2.4864035
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.146871400263
variable y0 equal ${yi}
variable y0 equal 4.57325408810541
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.179004168894
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.54793795699045
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1743 -2.9871562 -2.50704 -2.4864035
1744 -2.9871562 -2.50704 -2.5043968
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.146871400263
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.57325408810541
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.55546174207155
variable y0 equal ${yi}
variable y0 equal 5.67337435429292
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.58555344500963
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.67622888033586
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1744 -2.9871562 -2.50704 -2.5043968
1745 -2.9871562 -2.50704 -2.5077444
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.50774435236207
variable naccept equal ${increment}
variable naccept equal 381
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.46272479374619
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.52176010554034
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1745 -2.9871562 -2.5077444 -2.5077444
1746 -2.9871562 -2.5077444 -2.4842149
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.18523547410527
variable y0 equal ${yi}
variable y0 equal 1.96640520474976
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.13245429753819
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.95444226644104
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1746 -2.9871562 -2.5077444 -2.4842149
1747 -2.9871562 -2.5077444 -2.4931409
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.18523547410527
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.96640520474976
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.359936702635
variable y0 equal ${yi}
variable y0 equal 6.46727336184016
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.29028950968
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.46599212423793
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1747 -2.9871562 -2.5077444 -2.4931409
1748 -2.9871562 -2.5077444 -2.5131324
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.51313236168515
variable naccept equal ${increment}
variable naccept equal 382
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.9666222687482
variable y0 equal ${yi}
variable y0 equal 4.61283609026834
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.95934512574664
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.55919981354639
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1748 -2.9871562 -2.5131324 -2.5131324
1749 -2.9871562 -2.5131324 -2.4823152
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.9666222687482
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.61283609026834
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.07584694067344
variable y0 equal ${yi}
variable y0 equal 0.00976005792616981
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 1.9799972716938
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 0.0391841888427653
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1749 -2.9871562 -2.5131324 -2.4823152
1750 -2.9871562 -2.5131324 -2.4891337
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.07584694067344
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 0.00976005792616981
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.87741336464225
variable y0 equal ${yi}
variable y0 equal 6.4556893421792
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.89040735601722
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.45623155371179
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1750 -2.9871562 -2.5131324 -2.4891337
1751 -2.9871562 -2.5131324 -2.5131777
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.51317767501475
variable naccept equal ${increment}
variable naccept equal 383
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.07584694067344
variable y0 equal ${yi}
variable y0 equal 0.00976005792616981
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.01925012508735
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y -0.0608327627182089
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1751 -2.9871562 -2.5131777 -2.5131777
1752 -2.9871562 -2.5131777 -2.4877403
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.07584694067344
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 0.00976005792616981
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.95269535421668
variable y0 equal ${yi}
variable y0 equal 4.50253551358148
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 5.03468200802146
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.49622348898813
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1752 -2.9871562 -2.5131777 -2.4877403
1753 -2.9871562 -2.5131777 -2.4439886
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.95269535421668
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.50253551358148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.12744101880885
variable y0 equal ${yi}
variable y0 equal 6.56631985441675
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.16058630346156
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.6310257031106
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1753 -2.9871562 -2.5131777 -2.4439886
1754 -2.9871562 -2.5131777 -2.4672605
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.12744101880885
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.56631985441675
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87285548408023
variable y0 equal ${yi}
variable y0 equal 8.36937119878825
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.84470409114352
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.3224795452505
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1754 -2.9871562 -2.5131777 -2.4672605
1755 -2.9871562 -2.5131777 -2.5059608
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.36937119878825
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.48630534807111
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.6640052752031
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1755 -2.9871562 -2.5131777 -2.5059608
1756 -2.9871562 -2.5131777 -2.4966953
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.31808795690099
variable y0 equal ${yi}
variable y0 equal 5.6091846699019
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.29518801927129
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.52495191042619
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1756 -2.9871562 -2.5131777 -2.4966953
1757 -2.9871562 -2.5131777 -2.5082252
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.31808795690099
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.6091846699019
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.24185213247205
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0017435908317541
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1757 -2.9871562 -2.5131777 -2.5082252
1758 -2.9871562 -2.5131777 -2.4994849
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.6111590226346
variable y0 equal ${yi}
variable y0 equal 9.22944378364413
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.6423678119832
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.1521979640755
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1758 -2.9871562 -2.5131777 -2.4994849
1759 -2.9871562 -2.5131777 -2.4885771
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.6111590226346
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.22944378364413
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.10620518366204
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.92054145715303
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1759 -2.9871562 -2.5131777 -2.4885771
1760 -2.9871562 -2.5131777 -2.51041
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.56329734165441
variable y0 equal ${yi}
variable y0 equal 3.72885418696535
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.57615352709066
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.69412200017107
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1760 -2.9871562 -2.5131777 -2.51041
1761 -2.9871562 -2.5131777 -2.5067127
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.56329734165441
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.72885418696535
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 1.04039912541561
variable y0 equal ${yi}
variable y0 equal 5.56148483698564
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 0.953809681731986
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.54686884825426
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1761 -2.9871562 -2.5131777 -2.5067127
1762 -2.9871562 -2.5131777 -2.5005611
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 63 x ${x0}
set atom 63 x 1.04039912541561
1 settings made for x
set atom $i y ${y0}
set atom 63 y ${y0}
set atom 63 y 5.56148483698564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.31485514084207
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.48211188261705
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1762 -2.9871562 -2.5131777 -2.5005611
1763 -2.9871562 -2.5131777 -2.4480728
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.00634393094875
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.340197693482
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1763 -2.9871562 -2.5131777 -2.4480728
1764 -2.9871562 -2.5131777 -2.5101476
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.37088978130592
variable y0 equal ${yi}
variable y0 equal 1.86757599494523
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.45367610294594
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.92353616139955
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1764 -2.9871562 -2.5131777 -2.5101476
1765 -2.9871562 -2.5131777 -2.4996012
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 35 x ${x0}
set atom 35 x 7.37088978130592
1 settings made for x
set atom $i y ${y0}
set atom 35 y ${y0}
set atom 35 y 1.86757599494523
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.07584694067344
variable y0 equal ${yi}
variable y0 equal 0.00976005792616981
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.02568246761665
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y -0.0245615839958273
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1765 -2.9871562 -2.5131777 -2.4996012
1766 -2.9871562 -2.5131777 -2.5020362
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.07584694067344
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 0.00976005792616981
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.44088740506594
variable y0 equal ${yi}
variable y0 equal 9.25733234393924
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.49737423816149
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.2278668593201
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1766 -2.9871562 -2.5131777 -2.5020362
1767 -2.9871562 -2.5131777 -2.5163058
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.51630583929691
variable naccept equal ${increment}
variable naccept equal 384
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.12267636696206
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.52439054575229
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1767 -2.9871562 -2.5163058 -2.5163058
1768 -2.9871562 -2.5163058 -2.4943738
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.32352469681817
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 0.060698032379154
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1768 -2.9871562 -2.5163058 -2.4943738
1769 -2.9871562 -2.5163058 -2.4944021
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87285548408023
variable y0 equal ${yi}
variable y0 equal 8.36937119878825
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.94485397298328
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.37426927007731
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1769 -2.9871562 -2.5163058 -2.4944021
1770 -2.9871562 -2.5163058 -2.5119426
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.36937119878825
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80623258868343
variable y0 equal ${yi}
variable y0 equal 6.50073292986383
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.76017001191265
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.43133811489572
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1770 -2.9871562 -2.5163058 -2.5119426
1771 -2.9871562 -2.5163058 -2.4825077
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.80623258868343
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.50073292986383
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.25757455269204
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.80100779099595
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1771 -2.9871562 -2.5163058 -2.4825077
1772 -2.9871562 -2.5163058 -2.5014542
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.63001570582171
variable y0 equal ${yi}
variable y0 equal 2.83223057957987
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.64265966295977
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.75750827761988
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1772 -2.9871562 -2.5163058 -2.5014542
1773 -2.9871562 -2.5163058 -2.5144034
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.63001570582171
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.83223057957987
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.08689599949867
variable y0 equal ${yi}
variable y0 equal 4.81755102032586
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.16288858372719
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.74496568793221
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1773 -2.9871562 -2.5163058 -2.5144034
1774 -2.9871562 -2.5163058 -2.5320121
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.53201208215228
variable naccept equal ${increment}
variable naccept equal 385
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.69106418092681
variable y0 equal ${yi}
variable y0 equal 0.920749815214004
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.67234798868133
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.861188097703781
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1774 -2.9871562 -2.5320121 -2.5320121
1775 -2.9871562 -2.5320121 -2.5237006
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.69106418092681
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.920749815214004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.131702781107
variable y0 equal ${yi}
variable y0 equal 8.31063791431484
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1819606308003
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.34119096912441
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1775 -2.9871562 -2.5320121 -2.5237006
1776 -2.9871562 -2.5320121 -2.5240688
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.131702781107
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.31063791431484
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.19809427340241
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.85901639840669
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1776 -2.9871562 -2.5320121 -2.5240688
1777 -2.9871562 -2.5320121 -2.4892408
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.71264111001922
variable y0 equal ${yi}
variable y0 equal 8.37165092147884
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.75564029415084
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.43244019664821
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1777 -2.9871562 -2.5320121 -2.4892408
1778 -2.9871562 -2.5320121 -2.524711
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.71264111001922
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.37165092147884
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.89040735601722
variable y0 equal ${yi}
variable y0 equal 6.45623155371179
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.87680812715827
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.54021814600458
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1778 -2.9871562 -2.5320121 -2.524711
1779 -2.9871562 -2.5320121 -2.5187854
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.89040735601722
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.45623155371179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54554458140013
variable y0 equal ${yi}
variable y0 equal 3.70140816731585
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.53200154780028
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.64820042414797
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1779 -2.9871562 -2.5320121 -2.5187854
1780 -2.9871562 -2.5320121 -2.5194447
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.54554458140013
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.70140816731585
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.6195641326773
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.41088972416187
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1780 -2.9871562 -2.5320121 -2.5194447
1781 -2.9871562 -2.5320121 -2.5154263
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.90123786567985
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.84607984992364
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1781 -2.9871562 -2.5320121 -2.5154263
1782 -2.9871562 -2.5320121 -2.5313315
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.85868977280953
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78193971434718
variable y0 equal ${yi}
variable y0 equal 8.31736352361736
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.83009337702876
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.31730835355816
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1782 -2.9871562 -2.5320121 -2.5313315
1783 -2.9871562 -2.5320121 -2.5235009
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78193971434718
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.31736352361736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.09545654971154
variable y0 equal ${yi}
variable y0 equal 8.37382508434351
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.04626440722497
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.31296929039057
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1783 -2.9871562 -2.5320121 -2.5235009
1784 -2.9871562 -2.5320121 -2.5169016
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 98 x ${x0}
set atom 98 x 9.09545654971154
1 settings made for x
set atom $i y ${y0}
set atom 98 y ${y0}
set atom 98 y 8.37382508434351
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.9666222687482
variable y0 equal ${yi}
variable y0 equal 4.61283609026834
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.96121762950412
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.71035056466028
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1784 -2.9871562 -2.5320121 -2.5169016
1785 -2.9871562 -2.5320121 -2.5247046
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.9666222687482
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.61283609026834
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.63001570582171
variable y0 equal ${yi}
variable y0 equal 2.83223057957987
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.58208489298602
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.82815018864969
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1785 -2.9871562 -2.5320121 -2.5247046
1786 -2.9871562 -2.5320121 -2.5307212
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.63001570582171
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.83223057957987
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.63001570582171
variable y0 equal ${yi}
variable y0 equal 2.83223057957987
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.59829139590045
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.77385951253275
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1786 -2.9871562 -2.5320121 -2.5307212
1787 -2.9871562 -2.5320121 -2.5340111
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.53401108393171
variable naccept equal ${increment}
variable naccept equal 386
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.65343800981474
variable y0 equal ${yi}
variable y0 equal 2.85940663787225
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.61068279941511
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.94007375213006
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1787 -2.9871562 -2.5340111 -2.5340111
1788 -2.9871562 -2.5340111 -2.4914221
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.65343800981474
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.85940663787225
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.24992654084723
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 0.103712129592905
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1788 -2.9871562 -2.5340111 -2.4914221
1789 -2.9871562 -2.5340111 -2.5171975
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78193971434718
variable y0 equal ${yi}
variable y0 equal 8.31736352361736
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.85504639664775
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.33264021791515
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1789 -2.9871562 -2.5340111 -2.5171975
1790 -2.9871562 -2.5340111 -2.5161286
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78193971434718
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.31736352361736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.6911063273601
variable y0 equal ${yi}
variable y0 equal 5.45732250158982
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.6063891251735
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.43152117674546
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1790 -2.9871562 -2.5340111 -2.5161286
1791 -2.9871562 -2.5340111 -2.5028867
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 10.6911063273601
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.45732250158982
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.95269535421668
variable y0 equal ${yi}
variable y0 equal 4.50253551358148
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.85977686285316
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.4265338456051
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1791 -2.9871562 -2.5340111 -2.5028867
1792 -2.9871562 -2.5340111 -2.3593919
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.95269535421668
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.50253551358148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.15111655909569
variable y0 equal ${yi}
variable y0 equal 6.52915453449718
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.11199482399971
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.51146558062068
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1792 -2.9871562 -2.5340111 -2.3593919
1793 -2.9871562 -2.5340111 -2.5214786
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2436.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.15111655909569
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.52915453449718
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.146871400263
variable y0 equal ${yi}
variable y0 equal 4.57325408810541
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.1301814798376
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.49219125861093
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1793 -2.9871562 -2.5340111 -2.5214786
1794 -2.9871562 -2.5340111 -2.5207245
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.146871400263
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.57325408810541
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.42002700646134
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.50465547983844
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1794 -2.9871562 -2.5340111 -2.5207245
1795 -2.9871562 -2.5340111 -2.5289775
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.4949854779112
variable y0 equal ${yi}
variable y0 equal 0.0935324668884274
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.49153032778379
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.0782125592231747
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1795 -2.9871562 -2.5340111 -2.5289775
1796 -2.9871562 -2.5340111 -2.5354724
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.53547244005368
variable naccept equal ${increment}
variable naccept equal 387
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.6009168970563
variable y0 equal ${yi}
variable y0 equal 0.937610264528124
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.53957323908587
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 1.03376293967995
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1796 -2.9871562 -2.5354724 -2.5354724
1797 -2.9871562 -2.5354724 -2.4931108
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.6009168970563
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.937610264528124
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.31808795690099
variable y0 equal ${yi}
variable y0 equal 5.6091846699019
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.32838350295583
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.60614974444109
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1797 -2.9871562 -2.5354724 -2.4931108
1798 -2.9871562 -2.5354724 -2.5346971
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.31808795690099
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.6091846699019
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.5212953909136
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.0502413988113403
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1798 -2.9871562 -2.5354724 -2.5346971
1799 -2.9871562 -2.5354724 -2.5206127
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.6111590226346
variable y0 equal ${yi}
variable y0 equal 9.22944378364413
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.5878455599004
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.28117802846759
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1799 -2.9871562 -2.5354724 -2.5206127
1800 -2.9871562 -2.5354724 -2.5375404
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.5375403551196
variable naccept equal ${increment}
variable naccept equal 388
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.33098243871595
variable y0 equal ${yi}
variable y0 equal 1.91473032615251
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.31596373716261
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.83819601914949
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1800 -2.9871562 -2.5375404 -2.5375404
1801 -2.9871562 -2.5375404 -2.5390685
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.53906853725655
variable naccept equal ${increment}
variable naccept equal 389
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.77766234516441
variable y0 equal ${yi}
variable y0 equal 0.927607925641864
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.70629324554741
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.897528763521045
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1801 -2.9871562 -2.5390685 -2.5390685
1802 -2.9871562 -2.5390685 -2.5227815
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.927607925641864
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.146871400263
variable y0 equal ${yi}
variable y0 equal 4.57325408810541
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.1318718437216
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.48601099604532
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1802 -2.9871562 -2.5390685 -2.5227815
1803 -2.9871562 -2.5390685 -2.5244269
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.146871400263
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.57325408810541
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.31808795690099
variable y0 equal ${yi}
variable y0 equal 5.6091846699019
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.36902109145681
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.5719395155211
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1803 -2.9871562 -2.5390685 -2.5244269
1804 -2.9871562 -2.5390685 -2.5306213
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.31808795690099
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.6091846699019
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54407576480333
variable y0 equal ${yi}
variable y0 equal 3.66106940074097
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.59269353309099
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.58151417536866
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1804 -2.9871562 -2.5390685 -2.5306213
1805 -2.9871562 -2.5390685 -2.5119458
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.54407576480333
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.66106940074097
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.65343800981474
variable y0 equal ${yi}
variable y0 equal 2.85940663787225
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.64682299097014
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.94914935799936
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1805 -2.9871562 -2.5390685 -2.5119458
1806 -2.9871562 -2.5390685 -2.500222
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.65343800981474
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.85940663787225
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 7.9730439126382
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.29894748844202
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1806 -2.9871562 -2.5390685 -2.500222
1807 -2.9871562 -2.5390685 -2.5216719
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.9666222687482
variable y0 equal ${yi}
variable y0 equal 4.61283609026834
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.94641846377841
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.67712874764368
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1807 -2.9871562 -2.5390685 -2.5216719
1808 -2.9871562 -2.5390685 -2.541029
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.5410289675105
variable naccept equal ${increment}
variable naccept equal 390
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.94641846377841
variable y0 equal ${yi}
variable y0 equal 4.67712874764368
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.87159434516421
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.60688097828791
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1808 -2.9871562 -2.541029 -2.541029
1809 -2.9871562 -2.541029 -2.4854308
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.94641846377841
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.67712874764368
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 1.04039912541561
variable y0 equal ${yi}
variable y0 equal 5.56148483698564
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 1.10637924988918
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.49794350807863
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1809 -2.9871562 -2.541029 -2.4854308
1810 -2.9871562 -2.541029 -2.5234507
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 63 x ${x0}
set atom 63 x 1.04039912541561
1 settings made for x
set atom $i y ${y0}
set atom 63 y ${y0}
set atom 63 y 5.56148483698564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.98288409669391
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.79886004897454
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1810 -2.9871562 -2.541029 -2.5234507
1811 -2.9871562 -2.541029 -2.5340777
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.90086858232013
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.85332814427712
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87285548408023
variable y0 equal ${yi}
variable y0 equal 8.36937119878825
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.82827498872272
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.46438046611842
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1811 -2.9871562 -2.541029 -2.5340777
1812 -2.9871562 -2.541029 -2.5188594
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.36937119878825
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.523390586772823
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.86584377261499
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1812 -2.9871562 -2.541029 -2.5188594
1813 -2.9871562 -2.541029 -2.5182184
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 1.04039912541561
variable y0 equal ${yi}
variable y0 equal 5.56148483698564
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 1.12589649279766
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.54788522665697
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1813 -2.9871562 -2.541029 -2.5182184
1814 -2.9871562 -2.541029 -2.5360361
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 63 x ${x0}
set atom 63 x 1.04039912541561
1 settings made for x
set atom $i y ${y0}
set atom 63 y ${y0}
set atom 63 y 5.56148483698564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.44764589826193
variable y0 equal ${yi}
variable y0 equal 8.32563534893091
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.536132176319028
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.38413363613184
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1814 -2.9871562 -2.541029 -2.5360361
1815 -2.9871562 -2.541029 -2.5182613
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.44764589826193
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.32563534893091
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.77766234516441
variable y0 equal ${yi}
variable y0 equal 0.927607925641864
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.75146712898552
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.881888659704059
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1815 -2.9871562 -2.541029 -2.5182613
1816 -2.9871562 -2.541029 -2.5317059
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.927607925641864
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.07584694067344
variable y0 equal ${yi}
variable y0 equal 0.00976005792616981
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 1.98588935772285
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y -0.0010746359825216
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1816 -2.9871562 -2.541029 -2.5317059
1817 -2.9871562 -2.541029 -2.5218384
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.07584694067344
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 0.00976005792616981
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.23539362032624
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.45632248249316
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1817 -2.9871562 -2.541029 -2.5218384
1818 -2.9871562 -2.541029 -2.5244965
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.08199476042
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.82129533263543
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1818 -2.9871562 -2.541029 -2.5244965
1819 -2.9871562 -2.541029 -2.5226732
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.78276804658273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.49922751902657
variable y0 equal ${yi}
variable y0 equal 5.52039463465411
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.4633318614872
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.51845455115039
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1819 -2.9871562 -2.541029 -2.5226732
1820 -2.9871562 -2.541029 -2.5395864
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.49922751902657
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.52039463465411
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.77720305243616
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.73006766194269
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1820 -2.9871562 -2.541029 -2.5395864
1821 -2.9871562 -2.541029 -2.5193222
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 6.99553199091598
variable y0 equal ${yi}
variable y0 equal 8.37164120592174
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.05071701088592
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.41448885120449
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1821 -2.9871562 -2.541029 -2.5193222
1822 -2.9871562 -2.541029 -2.5309825
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.37164120592174
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.32339063961717
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.84028247973985
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1822 -2.9871562 -2.541029 -2.5309825
1823 -2.9871562 -2.541029 -2.5197912
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.98550258834353
variable y0 equal ${yi}
variable y0 equal 6.47227353588572
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.99108362157336
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.47729490534296
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1823 -2.9871562 -2.541029 -2.5197912
1824 -2.9871562 -2.541029 -2.5409025
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.98550258834353
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.47227353588572
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.24272296507568
variable y0 equal ${yi}
variable y0 equal 0.0256201386451842
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.14610737641067
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 0.0944638848304869
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1824 -2.9871562 -2.541029 -2.5409025
1825 -2.9871562 -2.541029 -2.4957967
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.24272296507568
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.0256201386451842
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.54929796853925
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.83281788392198
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1825 -2.9871562 -2.541029 -2.4957967
1826 -2.9871562 -2.541029 -2.4605601
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.99518160540611
variable y0 equal ${yi}
variable y0 equal 0.952992590177384
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.98599239308387
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.925951715219346
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1826 -2.9871562 -2.541029 -2.4605601
1827 -2.9871562 -2.541029 -2.5451196
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.54511963377463
variable naccept equal ${increment}
variable naccept equal 391
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.09545654971154
variable y0 equal ${yi}
variable y0 equal 8.37382508434351
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.04594708401711
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.40107831872995
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1827 -2.9871562 -2.5451196 -2.5451196
1828 -2.9871562 -2.5451196 -2.5303693
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 98 x ${x0}
set atom 98 x 9.09545654971154
1 settings made for x
set atom $i y ${y0}
set atom 98 y ${y0}
set atom 98 y 8.37382508434351
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 7.0770720032756
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.75781829329827
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1828 -2.9871562 -2.5451196 -2.5303693
1829 -2.9871562 -2.5451196 -2.4839984
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.45588709512617
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.57183984463411
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1829 -2.9871562 -2.5451196 -2.4839984
1830 -2.9871562 -2.5451196 -2.5421241
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.22927008628407
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.77664699120653
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1830 -2.9871562 -2.5451196 -2.5421241
1831 -2.9871562 -2.5451196 -2.5412552
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.6911063273601
variable y0 equal ${yi}
variable y0 equal 5.45732250158982
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.6718435128383
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.40470645373063
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1831 -2.9871562 -2.5451196 -2.5412552
1832 -2.9871562 -2.5451196 -2.52658
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 10.6911063273601
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.45732250158982
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.20143455902444
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.90381513021058
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1832 -2.9871562 -2.5451196 -2.52658
1833 -2.9871562 -2.5451196 -2.535609
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.95269535421668
variable y0 equal ${yi}
variable y0 equal 4.50253551358148
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.96236024736701
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.44546908492013
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1833 -2.9871562 -2.5451196 -2.535609
1834 -2.9871562 -2.5451196 -2.4635655
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.95269535421668
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.50253551358148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7265060384922
variable y0 equal ${yi}
variable y0 equal 1.84549867293901
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.6857234438114
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.75850278518266
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1834 -2.9871562 -2.5451196 -2.4635655
1835 -2.9871562 -2.5451196 -2.5099441
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 10.7265060384922
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.84549867293901
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.35778102079298
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.53211250250536
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1835 -2.9871562 -2.5451196 -2.5099441
1836 -2.9871562 -2.5451196 -2.5369734
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.31794871170731
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.59519058411319
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1836 -2.9871562 -2.5451196 -2.5369734
1837 -2.9871562 -2.5451196 -2.5336355
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.29028950968
variable y0 equal ${yi}
variable y0 equal 6.46599212423793
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.209429288294
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.4327117516183
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1837 -2.9871562 -2.5451196 -2.5336355
1838 -2.9871562 -2.5451196 -2.5218619
Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.29028950968
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.46599212423793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.5878455599004
variable y0 equal ${yi}
variable y0 equal 9.28117802846759
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.5382596333677
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.3042393158707
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1838 -2.9871562 -2.5451196 -2.5218619
1839 -2.9871562 -2.5451196 -2.5366804
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.5878455599004
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.28117802846759
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.74727117021515
variable y0 equal ${yi}
variable y0 equal 6.50648560062877
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.81043250759079
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.55555092827312
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1839 -2.9871562 -2.5451196 -2.5366804
1840 -2.9871562 -2.5451196 -2.5128816
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.74727117021515
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.50648560062877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.94978266039535
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.78001506301263
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1840 -2.9871562 -2.5451196 -2.5128816
1841 -2.9871562 -2.5451196 -2.5414457
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.2219241146108
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.69119696589807
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1841 -2.9871562 -2.5451196 -2.5414457
1842 -2.9871562 -2.5451196 -2.5309078
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.78276804658273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.29028950968
variable y0 equal ${yi}
variable y0 equal 6.46599212423793
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.3734088186285
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.49223192469112
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1842 -2.9871562 -2.5451196 -2.5309078
1843 -2.9871562 -2.5451196 -2.5321419
Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.29028950968
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.46599212423793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.93561546444236
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.93322390290597
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1843 -2.9871562 -2.5451196 -2.5321419
1844 -2.9871562 -2.5451196 -2.509483
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.8951647126609
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.85868977280953
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.35422850051785
variable y0 equal ${yi}
variable y0 equal 7.41203050937915
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.43774528900052
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.39252740469241
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1844 -2.9871562 -2.5451196 -2.509483
1845 -2.9871562 -2.5451196 -2.5423623
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.35422850051785
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.41203050937915
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.54070384342442
variable y0 equal ${yi}
variable y0 equal 5.62746680920321
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.54245040256749
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.69577145521838
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1845 -2.9871562 -2.5451196 -2.5423623
1846 -2.9871562 -2.5451196 -2.5015613
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 75 x ${x0}
set atom 75 x 7.54070384342442
1 settings made for x
set atom $i y ${y0}
set atom 75 y ${y0}
set atom 75 y 5.62746680920321
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.65179794033003
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.75131498927041
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1846 -2.9871562 -2.5451196 -2.5015613
1847 -2.9871562 -2.5451196 -2.4968246
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.16723856369363
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.46657561388278
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1847 -2.9871562 -2.5451196 -2.4968246
1848 -2.9871562 -2.5451196 -2.5443099
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.22711526790963
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.72155836386811
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1848 -2.9871562 -2.5451196 -2.5443099
1849 -2.9871562 -2.5451196 -2.5275731
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54407576480333
variable y0 equal ${yi}
variable y0 equal 3.66106940074097
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.62414890685503
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.5805293159021
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1849 -2.9871562 -2.5451196 -2.5275731
1850 -2.9871562 -2.5451196 -2.4935326
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.54407576480333
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.66106940074097
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7265060384922
variable y0 equal ${yi}
variable y0 equal 1.84549867293901
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.7464429696255
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.8231418528325
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1850 -2.9871562 -2.5451196 -2.4935326
1851 -2.9871562 -2.5451196 -2.5427637
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 10.7265060384922
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.84549867293901
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.74327242890482
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.64463998431131
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1851 -2.9871562 -2.5451196 -2.5427637
1852 -2.9871562 -2.5451196 -2.5351621
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.36129931608106
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0695984482765173
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1852 -2.9871562 -2.5451196 -2.5351621
1853 -2.9871562 -2.5451196 -2.5272068
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.20556546488
variable y0 equal ${yi}
variable y0 equal 0.955296619642108
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.1259036664028
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 1.01249249767098
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1853 -2.9871562 -2.5451196 -2.5272068
1854 -2.9871562 -2.5451196 -2.5379012
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.20556546488
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.955296619642108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.01815503238536
variable y0 equal ${yi}
variable y0 equal 2.72729808064798
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.11479864715434
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.78606547089914
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1854 -2.9871562 -2.5451196 -2.5379012
1855 -2.9871562 -2.5451196 -2.5214245
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.01815503238536
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.72729808064798
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.98599239308387
variable y0 equal ${yi}
variable y0 equal 0.925951715219346
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.99733357150108
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.847655673730699
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1855 -2.9871562 -2.5451196 -2.5214245
1856 -2.9871562 -2.5451196 -2.5105113
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.98599239308387
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.925951715219346
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.98599239308387
variable y0 equal ${yi}
variable y0 equal 0.925951715219346
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.96855984646827
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.840420003640977
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1856 -2.9871562 -2.5451196 -2.5105113
1857 -2.9871562 -2.5451196 -2.5152494
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.98599239308387
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.925951715219346
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.44376786787283
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.0436333179473877
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1857 -2.9871562 -2.5451196 -2.5152494
1858 -2.9871562 -2.5451196 -2.5446465
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.570630665222075
variable y0 equal ${yi}
variable y0 equal 0.909747691858138
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.894475575197066
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1858 -2.9871562 -2.5451196 -2.5446465
1859 -2.9871562 -2.5451196 -2.54894
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.54894002023
variable naccept equal ${increment}
variable naccept equal 392
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.20964491128483
variable y0 equal ${yi}
variable y0 equal 7.4096286090877
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.12443485021153
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.3756039294269
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1859 -2.9871562 -2.54894 -2.54894
1860 -2.9871562 -2.54894 -2.5076652
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.20964491128483
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.4096286090877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.45546932934839
variable y0 equal ${yi}
variable y0 equal 7.46753717985414
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.38405916213114
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.46646676388048
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1860 -2.9871562 -2.54894 -2.5076652
1861 -2.9871562 -2.54894 -2.5448421
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.45546932934839
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.46753717985414
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.71264111001922
variable y0 equal ${yi}
variable y0 equal 8.37165092147884
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.72805533607437
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.34013342775402
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1861 -2.9871562 -2.54894 -2.5448421
1862 -2.9871562 -2.54894 -2.5451728
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.71264111001922
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.37165092147884
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7265060384922
variable y0 equal ${yi}
variable y0 equal 1.84549867293901
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.7174429615192
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.7909929790265
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1862 -2.9871562 -2.54894 -2.5451728
1863 -2.9871562 -2.54894 -2.5369124
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 10.7265060384922
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.84549867293901
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31596373716261
variable y0 equal ${yi}
variable y0 equal 1.83819601914949
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.24277633825209
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.91336518905229
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1863 -2.9871562 -2.54894 -2.5369124
1864 -2.9871562 -2.54894 -2.5312005
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31596373716261
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.83819601914949
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.40551712353002
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.42230179634357
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1864 -2.9871562 -2.54894 -2.5312005
1865 -2.9871562 -2.54894 -2.5192547
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.35099447487909
variable y0 equal ${yi}
variable y0 equal 1.92307773015564
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.30348613976556
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 1.88143332383698
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1865 -2.9871562 -2.54894 -2.5192547
1866 -2.9871562 -2.54894 -2.5443607
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 33 x ${x0}
set atom 33 x 6.35099447487909
1 settings made for x
set atom $i y ${y0}
set atom 33 y ${y0}
set atom 33 y 1.92307773015564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.28340689579354
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.80234350724351
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1866 -2.9871562 -2.54894 -2.5443607
1867 -2.9871562 -2.54894 -2.5181743
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.131702781107
variable y0 equal ${yi}
variable y0 equal 8.31063791431484
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.0944396618863
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.39338899768886
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1867 -2.9871562 -2.54894 -2.5181743
1868 -2.9871562 -2.54894 -2.5439368
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.131702781107
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.31063791431484
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.35422850051785
variable y0 equal ${yi}
variable y0 equal 7.41203050937915
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.42542308965588
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.36853936043048
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1868 -2.9871562 -2.54894 -2.5439368
1869 -2.9871562 -2.54894 -2.5465813
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.35422850051785
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.41203050937915
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 7.98981396554805
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.31956210054453
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1869 -2.9871562 -2.54894 -2.5465813
1870 -2.9871562 -2.54894 -2.5420951
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.35422850051785
variable y0 equal ${yi}
variable y0 equal 7.41203050937915
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.33617816368008
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.34661232557559
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1870 -2.9871562 -2.54894 -2.5420951
1871 -2.9871562 -2.54894 -2.536532
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.35422850051785
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.41203050937915
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.27425597349512
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.61283602659898
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1871 -2.9871562 -2.54894 -2.536532
1872 -2.9871562 -2.54894 -2.5405839
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.37088978130592
variable y0 equal ${yi}
variable y0 equal 1.86757599494523
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.33302517969383
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.81912293813294
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1872 -2.9871562 -2.54894 -2.5405839
1873 -2.9871562 -2.54894 -2.527857
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 35 x ${x0}
set atom 35 x 7.37088978130592
1 settings made for x
set atom $i y ${y0}
set atom 35 y ${y0}
set atom 35 y 1.86757599494523
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1894146088621
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.87145475121835
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1873 -2.9871562 -2.54894 -2.527857
1874 -2.9871562 -2.54894 -2.5384058
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.78276804658273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.44764589826193
variable y0 equal ${yi}
variable y0 equal 8.32563534893091
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.350734897056486
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.37039880670602
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1874 -2.9871562 -2.54894 -2.5384058
1875 -2.9871562 -2.54894 -2.5256326
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.44764589826193
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.32563534893091
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0322040319442937
variable y0 equal ${yi}
variable y0 equal 7.38692112293505
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x -0.0167962193488887
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.37720476713442
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1875 -2.9871562 -2.54894 -2.5256326
1876 -2.9871562 -2.54894 -2.5431866
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.38692112293505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.49153032778379
variable y0 equal ${yi}
variable y0 equal 0.0782125592231747
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.57771970509168
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.0528771042823788
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1876 -2.9871562 -2.54894 -2.5431866
1877 -2.9871562 -2.54894 -2.5627757
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.56277566066053
variable naccept equal ${increment}
variable naccept equal 393
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.07584694067344
variable y0 equal ${yi}
variable y0 equal 0.00976005792616981
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.06598569790229
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 0.0122786641120829
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1877 -2.9871562 -2.5627757 -2.5627757
1878 -2.9871562 -2.5627757 -2.5616455
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.07584694067344
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 0.00976005792616981
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.74632789372085
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.33005817261005
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1878 -2.9871562 -2.5627757 -2.5616455
1879 -2.9871562 -2.5627757 -2.5539806
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.6009168970563
variable y0 equal ${yi}
variable y0 equal 0.937610264528124
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.50452022433062
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.88129573653969
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1879 -2.9871562 -2.5627757 -2.5539806
1880 -2.9871562 -2.5627757 -2.5482748
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.6009168970563
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.937610264528124
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.35422850051785
variable y0 equal ${yi}
variable y0 equal 7.41203050937915
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.35271943012143
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.31432999696994
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1880 -2.9871562 -2.5627757 -2.5482748
1881 -2.9871562 -2.5627757 -2.5436951
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.35422850051785
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.41203050937915
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.6009168970563
variable y0 equal ${yi}
variable y0 equal 0.937610264528124
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.6707647073247
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.917089756238787
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1881 -2.9871562 -2.5627757 -2.5436951
1882 -2.9871562 -2.5627757 -2.5497963
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.6009168970563
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.937610264528124
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89080204048797
variable y0 equal ${yi}
variable y0 equal 0.962413962591011
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.99027600565597
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.916376157510597
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1882 -2.9871562 -2.5627757 -2.5497963
1883 -2.9871562 -2.5627757 -2.5337047
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.89080204048797
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.962413962591011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72333437720424
variable y0 equal ${yi}
variable y0 equal 1.06102300475869
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.72890197554714
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.0604893166903
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1883 -2.9871562 -2.5627757 -2.5337047
1884 -2.9871562 -2.5627757 -2.5628604
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.56286039010838
variable naccept equal ${increment}
variable naccept equal 394
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.98550258834353
variable y0 equal ${yi}
variable y0 equal 6.47227353588572
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.93130503852358
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.44556225077143
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1884 -2.9871562 -2.5628604 -2.5628604
1885 -2.9871562 -2.5628604 -2.5579394
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.98550258834353
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.47227353588572
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 6.99553199091598
variable y0 equal ${yi}
variable y0 equal 8.37164120592174
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 6.95489427128479
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.36493048585949
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1885 -2.9871562 -2.5628604 -2.5579394
1886 -2.9871562 -2.5628604 -2.5621739
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.37164120592174
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.6911063273601
variable y0 equal ${yi}
variable y0 equal 5.45732250158982
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.6663047512226
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.49085344021516
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1886 -2.9871562 -2.5628604 -2.5621739
1887 -2.9871562 -2.5628604 -2.5621693
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 10.6911063273601
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.45732250158982
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54554458140013
variable y0 equal ${yi}
variable y0 equal 3.70140816731585
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.51365242479918
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.70964928431643
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1887 -2.9871562 -2.5628604 -2.5621693
1888 -2.9871562 -2.5628604 -2.552194
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.54554458140013
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.70140816731585
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.29705986181165
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y -0.030494892597201
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1888 -2.9871562 -2.5628604 -2.552194
1889 -2.9871562 -2.5628604 -2.559113
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.525174053111937
variable y0 equal ${yi}
variable y0 equal 0.894475575197066
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.541543729701903
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.891679414022292
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1889 -2.9871562 -2.5628604 -2.559113
1890 -2.9871562 -2.5628604 -2.5622539
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.894475575197066
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.46816363731291
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.53954304402071
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1890 -2.9871562 -2.5628604 -2.5622539
1891 -2.9871562 -2.5628604 -2.5547772
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2436.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.37088978130592
variable y0 equal ${yi}
variable y0 equal 1.86757599494523
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.41105691034568
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.86285059831208
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1891 -2.9871562 -2.5628604 -2.5547772
1892 -2.9871562 -2.5628604 -2.5661791
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.5661790973644
variable naccept equal ${increment}
variable naccept equal 395
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.46438482204343
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.66382379098069
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1892 -2.9871562 -2.5661791 -2.5661791
1893 -2.9871562 -2.5661791 -2.5481911
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 0.0431623816490095
variable y0 equal ${yi}
variable y0 equal 3.68648581071032
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x -0.0216213703155596
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.61173309846056
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1893 -2.9871562 -2.5661791 -2.5481911
1894 -2.9871562 -2.5661791 -2.5580894
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 0.0431623816490095
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.68648581071032
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.57771970509168
variable y0 equal ${yi}
variable y0 equal 0.0528771042823788
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.64354751585599
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.0546420574188229
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1894 -2.9871562 -2.5661791 -2.5580894
1895 -2.9871562 -2.5661791 -2.5435745
Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.57771970509168
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0528771042823788
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.54070384342442
variable y0 equal ${yi}
variable y0 equal 5.62746680920321
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.62768572408925
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.53074058239657
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1895 -2.9871562 -2.5661791 -2.5435745
1896 -2.9871562 -2.5661791 -2.5541642
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 75 x ${x0}
set atom 75 x 7.54070384342442
1 settings made for x
set atom $i y ${y0}
set atom 75 y ${y0}
set atom 75 y 5.62746680920321
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.18215294519769
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.84221334023606
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1896 -2.9871562 -2.5661791 -2.5541642
1897 -2.9871562 -2.5661791 -2.5591238
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.20556546488
variable y0 equal ${yi}
variable y0 equal 0.955296619642108
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.288342559721
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.918077226388782
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1897 -2.9871562 -2.5661791 -2.5591238
1898 -2.9871562 -2.5661791 -2.5393188
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.20556546488
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.955296619642108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.74824603437718
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.31298493064937
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1898 -2.9871562 -2.5661791 -2.5393188
1899 -2.9871562 -2.5661791 -2.5460848
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.98599239308387
variable y0 equal ${yi}
variable y0 equal 0.925951715219346
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 9.00971822459251
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.846294828164903
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1899 -2.9871562 -2.5661791 -2.5460848
1900 -2.9871562 -2.5661791 -2.5625852
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.98599239308387
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.925951715219346
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.71289751687472
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.44543252315784
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1900 -2.9871562 -2.5661791 -2.5625852
1901 -2.9871562 -2.5661791 -2.560836
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.49289957124959
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.4591614874866
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1901 -2.9871562 -2.5661791 -2.560836
1902 -2.9871562 -2.5661791 -2.5633034
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 0.0431623816490095
variable y0 equal ${yi}
variable y0 equal 3.68648581071032
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x -0.0418251872062761
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.65389419360293
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1902 -2.9871562 -2.5661791 -2.5633034
1903 -2.9871562 -2.5661791 -2.5679192
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.56791916261878
variable naccept equal ${increment}
variable naccept equal 396
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89080204048797
variable y0 equal ${yi}
variable y0 equal 0.962413962591011
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.81864675560638
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.874931784379799
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1903 -2.9871562 -2.5679192 -2.5679192
1904 -2.9871562 -2.5679192 -2.5368125
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.89080204048797
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.962413962591011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.59361919561291
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.66725219054353
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1904 -2.9871562 -2.5679192 -2.5368125
1905 -2.9871562 -2.5679192 -2.4502153
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.01815503238536
variable y0 equal ${yi}
variable y0 equal 2.72729808064798
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.08840156196452
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.63483247729639
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1905 -2.9871562 -2.5679192 -2.4502153
1906 -2.9871562 -2.5679192 -2.4943969
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.01815503238536
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.72729808064798
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.24405559936868
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.4660461696651
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1906 -2.9871562 -2.5679192 -2.4943969
1907 -2.9871562 -2.5679192 -2.5492677
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.15771750847207
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.45649659958148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 7.97367545961238
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.40798517383631
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1907 -2.9871562 -2.5679192 -2.5492677
1908 -2.9871562 -2.5679192 -2.5468876
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.12744101880885
variable y0 equal ${yi}
variable y0 equal 6.56631985441675
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.10878357290126
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.51199351088037
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1908 -2.9871562 -2.5679192 -2.5468876
1909 -2.9871562 -2.5679192 -2.5647445
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.12744101880885
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.56631985441675
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.47891548712026
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.047444748878479
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1909 -2.9871562 -2.5679192 -2.5647445
1910 -2.9871562 -2.5679192 -2.5650166
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.97175607084133
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.935547157037586
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1910 -2.9871562 -2.5679192 -2.5650166
1911 -2.9871562 -2.5679192 -2.5672993
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.8951647126609
variable y0 equal ${yi}
variable y0 equal 2.85868977280953
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.84459139942466
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.8530292389045
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1911 -2.9871562 -2.5679192 -2.5672993
1912 -2.9871562 -2.5679192 -2.5673062
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.56730622725458
variable naccept equal ${increment}
variable naccept equal 397
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.654104717174436
variable y0 equal ${yi}
variable y0 equal 6.49111358658304
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.669518621364499
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.40323361889353
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1912 -2.9871562 -2.5673062 -2.5673062
1913 -2.9871562 -2.5673062 -2.5240055
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.654104717174436
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.49111358658304
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.11815181096249
variable y0 equal ${yi}
variable y0 equal 7.44427507248187
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.08228204568081
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.54054940071368
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1913 -2.9871562 -2.5673062 -2.5240055
1914 -2.9871562 -2.5673062 -2.5524218
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.11815181096249
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.44427507248187
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.88165532866604
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.87440716000894
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1914 -2.9871562 -2.5673062 -2.5524218
1915 -2.9871562 -2.5673062 -2.5395487
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.85977786752084
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.31277988353635
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y -0.0868708610534693
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1915 -2.9871562 -2.5673062 -2.5395487
1916 -2.9871562 -2.5673062 -2.5469212
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31596373716261
variable y0 equal ${yi}
variable y0 equal 1.83819601914949
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.32781621614363
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.81532698056764
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1916 -2.9871562 -2.5673062 -2.5469212
1917 -2.9871562 -2.5673062 -2.5635756
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31596373716261
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.83819601914949
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.41105691034568
variable y0 equal ${yi}
variable y0 equal 1.86285059831208
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.3547941549517
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.95512600324219
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1917 -2.9871562 -2.5673062 -2.5635756
1918 -2.9871562 -2.5673062 -2.5337048
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 35 x ${x0}
set atom 35 x 7.41105691034568
1 settings made for x
set atom $i y ${y0}
set atom 35 y ${y0}
set atom 35 y 1.86285059831208
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.89040735601722
variable y0 equal ${yi}
variable y0 equal 6.45623155371179
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.92328787683784
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.45926671759118
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1918 -2.9871562 -2.5673062 -2.5337048
1919 -2.9871562 -2.5673062 -2.5649755
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.89040735601722
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.45623155371179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.6009168970563
variable y0 equal ${yi}
variable y0 equal 0.937610264528124
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.63385331511279
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.891156693208544
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1919 -2.9871562 -2.5673062 -2.5649755
1920 -2.9871562 -2.5673062 -2.5583131
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.6009168970563
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.937610264528124
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.10189970134594
variable y0 equal ${yi}
variable y0 equal 4.6733581578152
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.10495061277249
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.66507560366557
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1920 -2.9871562 -2.5673062 -2.5583131
1921 -2.9871562 -2.5673062 -2.5669957
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.56699571724476
variable naccept equal ${increment}
variable naccept equal 398
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.6513254062218
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.36486255255008
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1921 -2.9871562 -2.5669957 -2.5669957
1922 -2.9871562 -2.5669957 -2.5440096
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.50094277142164
variable y0 equal ${yi}
variable y0 equal 1.79520596644944
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.40473785875913
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.75710432908601
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1922 -2.9871562 -2.5669957 -2.5440096
1923 -2.9871562 -2.5669957 -2.503277
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.50094277142164
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.79520596644944
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 0.965262642700007
variable y0 equal ${yi}
variable y0 equal 9.22464752900928
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 1.02897904236965
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.27259716499179
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1923 -2.9871562 -2.5669957 -2.503277
1924 -2.9871562 -2.5669957 -2.5673255
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.5673255102621
variable naccept equal ${increment}
variable naccept equal 399
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.36591658988859
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.00406470298766841
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1924 -2.9871562 -2.5673255 -2.5673255
1925 -2.9871562 -2.5673255 -2.5640578
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.44764589826193
variable y0 equal ${yi}
variable y0 equal 8.32563534893091
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.480583484569456
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.38369611419733
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1925 -2.9871562 -2.5673255 -2.5640578
1926 -2.9871562 -2.5673255 -2.5709919
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.57099190645372
variable naccept equal ${increment}
variable naccept equal 400
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.22575576940881
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.6768225745691
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1926 -2.9871562 -2.5709919 -2.5709919
1927 -2.9871562 -2.5709919 -2.5266986
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.2810930617592
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 2.03351244113511
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1927 -2.9871562 -2.5709919 -2.5266986
1928 -2.9871562 -2.5709919 -2.5380963
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.15771750847207
variable y0 equal ${yi}
variable y0 equal 7.45649659958148
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.18122052589761
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.43532284822726
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1928 -2.9871562 -2.5709919 -2.5380963
1929 -2.9871562 -2.5709919 -2.5716825
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.57168246219507
variable naccept equal ${increment}
variable naccept equal 401
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.39524874766083
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.49865702336032
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1929 -2.9871562 -2.5716825 -2.5716825
1930 -2.9871562 -2.5716825 -2.5702136
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.01978997587062
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.26049752153452
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1930 -2.9871562 -2.5716825 -2.5702136
1931 -2.9871562 -2.5716825 -2.5587111
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.18122052589761
variable y0 equal ${yi}
variable y0 equal 7.43532284822726
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.23200811783181
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.44246533241534
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1931 -2.9871562 -2.5716825 -2.5587111
1932 -2.9871562 -2.5716825 -2.5596842
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.18122052589761
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.43532284822726
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.55640276510488
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.00205355882644655
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1932 -2.9871562 -2.5716825 -2.5596842
1933 -2.9871562 -2.5716825 -2.5433573
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.525174053111937
variable y0 equal ${yi}
variable y0 equal 0.894475575197066
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.506680949130919
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.970807071435774
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1933 -2.9871562 -2.5716825 -2.5433573
1934 -2.9871562 -2.5716825 -2.564062
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.894475575197066
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.90202143469497
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.90669712993005
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1934 -2.9871562 -2.5716825 -2.564062
1935 -2.9871562 -2.5716825 -2.5287617
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.480583484569456
variable y0 equal ${yi}
variable y0 equal 8.38369611419733
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.503885825076963
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.43314369834955
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1935 -2.9871562 -2.5716825 -2.5287617
1936 -2.9871562 -2.5716825 -2.5616535
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.480583484569456
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.38369611419733
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0322040319442937
variable y0 equal ${yi}
variable y0 equal 7.38692112293505
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x -0.0274049878120234
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.29749118414187
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1936 -2.9871562 -2.5716825 -2.5616535
1937 -2.9871562 -2.5716825 -2.5264429
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.38692112293505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.10495061277249
variable y0 equal ${yi}
variable y0 equal 4.66507560366557
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.14209563135006
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.70012417191432
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1937 -2.9871562 -2.5716825 -2.5264429
1938 -2.9871562 -2.5716825 -2.5676018
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.10495061277249
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.66507560366557
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0322040319442937
variable y0 equal ${yi}
variable y0 equal 7.38692112293505
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 0.128120005130787
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.43212372389101
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1938 -2.9871562 -2.5716825 -2.5676018
1939 -2.9871562 -2.5716825 -2.5564958
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.38692112293505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.77766234516441
variable y0 equal ${yi}
variable y0 equal 0.927607925641864
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.76203931211769
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.970833106744617
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1939 -2.9871562 -2.5716825 -2.5564958
1940 -2.9871562 -2.5716825 -2.5703087
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.927607925641864
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.571522839465999
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.83693855973581
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1940 -2.9871562 -2.5716825 -2.5703087
1941 -2.9871562 -2.5716825 -2.5669153
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.3952472933075
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.53230874483783
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1941 -2.9871562 -2.5716825 -2.5669153
1942 -2.9871562 -2.5716825 -2.5702776
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.20556546488
variable y0 equal ${yi}
variable y0 equal 0.955296619642108
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.2646945599575
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.905390079725116
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1942 -2.9871562 -2.5716825 -2.5702776
1943 -2.9871562 -2.5716825 -2.5524716
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.20556546488
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.955296619642108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.07140466569759
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.23510284341867
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1943 -2.9871562 -2.5716825 -2.5524716
1944 -2.9871562 -2.5716825 -2.5548806
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.90086858232013
variable y0 equal ${yi}
variable y0 equal 2.85332814427712
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.88503422696582
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.77079973193505
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1944 -2.9871562 -2.5716825 -2.5548806
1945 -2.9871562 -2.5716825 -2.5717758
Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms
2511.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.57177582849283
variable naccept equal ${increment}
variable naccept equal 402
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.84254707057468
variable y0 equal ${yi}
variable y0 equal 0.912364717233509
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.75934883315555
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.881608935106129
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1945 -2.9871562 -2.5717758 -2.5717758
1946 -2.9871562 -2.5717758 -2.5476389
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.84254707057468
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.912364717233509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.69106418092681
variable y0 equal ${yi}
variable y0 equal 0.920749815214004
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.78762643535567
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 1.01181275438103
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1946 -2.9871562 -2.5717758 -2.5476389
1947 -2.9871562 -2.5717758 -2.5354008
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.69106418092681
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.920749815214004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7265060384922
variable y0 equal ${yi}
variable y0 equal 1.84549867293901
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.7089661558323
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.93912223956651
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1947 -2.9871562 -2.5717758 -2.5354008
1948 -2.9871562 -2.5717758 -2.5599544
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 10.7265060384922
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.84549867293901
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.95269535421668
variable y0 equal ${yi}
variable y0 equal 4.50253551358148
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.92473058342277
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.49656813496515
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1948 -2.9871562 -2.5717758 -2.5599544
1949 -2.9871562 -2.5717758 -2.5705608
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.95269535421668
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.50253551358148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72890197554714
variable y0 equal ${yi}
variable y0 equal 1.0604893166903
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.8005339316476
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.05922982286248
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1949 -2.9871562 -2.5717758 -2.5705608
1950 -2.9871562 -2.5717758 -2.5570702
Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms
2511.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72890197554714
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.0604893166903
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.37690175850602
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.31168086853289
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1950 -2.9871562 -2.5717758 -2.5570702
1951 -2.9871562 -2.5717758 -2.5433949
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.69653651594897
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.37436768926677
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1951 -2.9871562 -2.5717758 -2.5433949
1952 -2.9871562 -2.5717758 -2.5617275
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.98550258834353
variable y0 equal ${yi}
variable y0 equal 6.47227353588572
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.8856642122983
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.54508443609705
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1952 -2.9871562 -2.5717758 -2.5617275
1953 -2.9871562 -2.5717758 -2.5560863
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.98550258834353
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.47227353588572
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.6911063273601
variable y0 equal ${yi}
variable y0 equal 5.45732250158982
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.7543597300701
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.47490171139435
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1953 -2.9871562 -2.5717758 -2.5560863
1954 -2.9871562 -2.5717758 -2.5722286
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.57222858969772
variable naccept equal ${increment}
variable naccept equal 403
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 74
variable x0 equal ${xi}
variable x0 equal 7.04742242375061
variable y0 equal ${yi}
variable y0 equal 6.46128811375131
set atom $i x ${xnew}
set atom 74 x ${xnew}
set atom 74 x 7.07531779089615
1 settings made for x
set atom $i y ${ynew}
set atom 74 y ${ynew}
set atom 74 y 6.45825262800683
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1954 -2.9871562 -2.5722286 -2.5722286
1955 -2.9871562 -2.5722286 -2.5636125
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2494.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 74 x ${x0}
set atom 74 x 7.04742242375061
1 settings made for x
set atom $i y ${y0}
set atom 74 y ${y0}
set atom 74 y 6.46128811375131
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.33372660318719
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.4993976349135
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1955 -2.9871562 -2.5722286 -2.5636125
1956 -2.9871562 -2.5722286 -2.5097372
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.36328680594178
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.33191160288119
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1956 -2.9871562 -2.5722286 -2.5097372
1957 -2.9871562 -2.5722286 -2.5552272
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1364771608373
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.68542534085611
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1957 -2.9871562 -2.5722286 -2.5552272
1958 -2.9871562 -2.5722286 -2.5714792
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.78276804658273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.74727117021515
variable y0 equal ${yi}
variable y0 equal 6.50648560062877
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.702415599422
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.48205155865184
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1958 -2.9871562 -2.5722286 -2.5714792
1959 -2.9871562 -2.5722286 -2.5693085
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.74727117021515
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.50648560062877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.56329734165441
variable y0 equal ${yi}
variable y0 equal 3.72885418696535
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.52396155435811
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.76348131461275
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1959 -2.9871562 -2.5722286 -2.5693085
1960 -2.9871562 -2.5722286 -2.5734614
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.57346135097827
variable naccept equal ${increment}
variable naccept equal 404
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.64263702788775
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.3287924083736
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1960 -2.9871562 -2.5734614 -2.5734614
1961 -2.9871562 -2.5734614 -2.5123408
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.16288858372719
variable y0 equal ${yi}
variable y0 equal 4.74496568793221
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.17456935364754
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.78264694565697
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1961 -2.9871562 -2.5734614 -2.5123408
1962 -2.9871562 -2.5734614 -2.5648797
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.16288858372719
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.74496568793221
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.91414935866043
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.81629132005074
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1962 -2.9871562 -2.5734614 -2.5648797
1963 -2.9871562 -2.5734614 -2.5699886
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.49922751902657
variable y0 equal ${yi}
variable y0 equal 5.52039463465411
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.41148005246239
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.50233039801318
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1963 -2.9871562 -2.5734614 -2.5699886
1964 -2.9871562 -2.5734614 -2.5484956
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.49922751902657
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.52039463465411
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.57771970509168
variable y0 equal ${yi}
variable y0 equal 0.0528771042823788
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.48698404310819
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.150077152252197
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1964 -2.9871562 -2.5734614 -2.5484956
1965 -2.9871562 -2.5734614 -2.5242166
Loop time of 7.98702e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.57771970509168
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0528771042823788
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.30576154946844
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 0.00298287868500711
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1965 -2.9871562 -2.5734614 -2.5242166
1966 -2.9871562 -2.5734614 -2.5439223
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54407576480333
variable y0 equal ${yi}
variable y0 equal 3.66106940074097
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.54984512486879
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.69442252679001
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1966 -2.9871562 -2.5734614 -2.5439223
1967 -2.9871562 -2.5734614 -2.5740126
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.57401256121829
variable naccept equal ${increment}
variable naccept equal 405
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 6.99553199091598
variable y0 equal ${yi}
variable y0 equal 8.37164120592174
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.00128597298309
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.32857953228054
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1967 -2.9871562 -2.5740126 -2.5740126
1968 -2.9871562 -2.5740126 -2.5654678
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.37164120592174
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.8860306107932
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.40910637296733
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1968 -2.9871562 -2.5740126 -2.5654678
1969 -2.9871562 -2.5740126 -2.5580096
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.45314650932217
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.76734987063538
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1969 -2.9871562 -2.5740126 -2.5580096
1970 -2.9871562 -2.5740126 -2.5214694
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.91901684402324
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.981152673471301
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1970 -2.9871562 -2.5740126 -2.5214694
1971 -2.9871562 -2.5740126 -2.5665001
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.49737423816149
variable y0 equal ${yi}
variable y0 equal 9.2278668593201
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.58549976506655
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.26701759803623
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1971 -2.9871562 -2.5740126 -2.5665001
1972 -2.9871562 -2.5740126 -2.5692639
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.49737423816149
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.2278668593201
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.98599239308387
variable y0 equal ${yi}
variable y0 equal 0.925951715219346
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 9.06144708115608
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.840570982206193
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1972 -2.9871562 -2.5740126 -2.5692639
1973 -2.9871562 -2.5740126 -2.5551058
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.98599239308387
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.925951715219346
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.98550258834353
variable y0 equal ${yi}
variable y0 equal 6.47227353588572
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.89399642903796
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.47747914329997
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1973 -2.9871562 -2.5740126 -2.5551058
1974 -2.9871562 -2.5740126 -2.5639724
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.98550258834353
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.47227353588572
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.32854479947951
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.62407112066942
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1974 -2.9871562 -2.5740126 -2.5639724
1975 -2.9871562 -2.5740126 -2.5265061
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72890197554714
variable y0 equal ${yi}
variable y0 equal 1.0604893166903
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.65925550976879
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.0311502416018
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1975 -2.9871562 -2.5740126 -2.5265061
1976 -2.9871562 -2.5740126 -2.5644108
Loop time of 3.71933e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72890197554714
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.0604893166903
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.57771970509168
variable y0 equal ${yi}
variable y0 equal 0.0528771042823788
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.48586290358182
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.0104185700416561
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1976 -2.9871562 -2.5740126 -2.5644108
1977 -2.9871562 -2.5740126 -2.562142
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.57771970509168
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0528771042823788
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.98599239308387
variable y0 equal ${yi}
variable y0 equal 0.925951715219346
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.97836360652
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.831859238851396
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1977 -2.9871562 -2.5740126 -2.562142
1978 -2.9871562 -2.5740126 -2.5679116
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.98599239308387
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.925951715219346
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.89080204048797
variable y0 equal ${yi}
variable y0 equal 0.962413962591011
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.88060106316253
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.960105260122139
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1978 -2.9871562 -2.5740126 -2.5679116
1979 -2.9871562 -2.5740126 -2.5740354
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.57403537505697
variable naccept equal ${increment}
variable naccept equal 406
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.15111655909569
variable y0 equal ${yi}
variable y0 equal 6.52915453449718
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.09492871481926
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.61493354574672
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1979 -2.9871562 -2.5740354 -2.5740354
1980 -2.9871562 -2.5740354 -2.5067112
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.15111655909569
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.52915453449718
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.72896017352228
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.62374215477869
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1980 -2.9871562 -2.5740354 -2.5067112
1981 -2.9871562 -2.5740354 -2.5579831
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.93462324737407
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 1.00154295753273
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1981 -2.9871562 -2.5740354 -2.5579831
1982 -2.9871562 -2.5740354 -2.5575038
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.07584694067344
variable y0 equal ${yi}
variable y0 equal 0.00976005792616981
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.13902074734077
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y -0.0116058111190878
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1982 -2.9871562 -2.5740354 -2.5575038
1983 -2.9871562 -2.5740354 -2.5790971
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.5790970789814
variable naccept equal ${increment}
variable naccept equal 407
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 6.99553199091598
variable y0 equal ${yi}
variable y0 equal 8.37164120592174
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.05228224077865
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.28211905874309
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1983 -2.9871562 -2.5790971 -2.5790971
1984 -2.9871562 -2.5790971 -2.5374293
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.37164120592174
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.7241444194251
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.29084740795192
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1984 -2.9871562 -2.5790971 -2.5374293
1985 -2.9871562 -2.5790971 -2.5380909
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.84254707057468
variable y0 equal ${yi}
variable y0 equal 0.912364717233509
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.91439069468967
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.869653828847736
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1985 -2.9871562 -2.5790971 -2.5380909
1986 -2.9871562 -2.5790971 -2.5558051
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.84254707057468
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.912364717233509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.30236203192788
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y -0.0227411985397303
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1986 -2.9871562 -2.5790971 -2.5558051
1987 -2.9871562 -2.5790971 -2.5601014
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.49922751902657
variable y0 equal ${yi}
variable y0 equal 5.52039463465411
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.59019989489632
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.50582431500155
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1987 -2.9871562 -2.5790971 -2.5601014
1988 -2.9871562 -2.5790971 -2.5344695
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.49922751902657
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.52039463465411
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.19798654078999
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.73931271596086
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1988 -2.9871562 -2.5790971 -2.5344695
1989 -2.9871562 -2.5790971 -2.5708696
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.35125572760316
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.88125099322862
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1989 -2.9871562 -2.5790971 -2.5708696
1990 -2.9871562 -2.5790971 -2.5622573
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 1.04039912541561
variable y0 equal ${yi}
variable y0 equal 5.56148483698564
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 1.09178573210888
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.57776011173921
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1990 -2.9871562 -2.5790971 -2.5622573
1991 -2.9871562 -2.5790971 -2.5819629
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.58196286473747
variable naccept equal ${increment}
variable naccept equal 408
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.49737423816149
variable y0 equal ${yi}
variable y0 equal 9.2278668593201
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.45989461102907
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.16611603010028
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1991 -2.9871562 -2.5819629 -2.5819629
1992 -2.9871562 -2.5819629 -2.5452409
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.49737423816149
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.2278668593201
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1358978871366
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.84498817893365
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1992 -2.9871562 -2.5819629 -2.5452409
1993 -2.9871562 -2.5819629 -2.568753
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.78276804658273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7265060384922
variable y0 equal ${yi}
variable y0 equal 1.84549867293901
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.7038982113056
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.89456078193254
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1993 -2.9871562 -2.5819629 -2.568753
1994 -2.9871562 -2.5819629 -2.5805362
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 10.7265060384922
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.84549867293901
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.09958864171057
variable y0 equal ${yi}
variable y0 equal 2.75573046180108
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.01154702622443
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.77833372327187
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1994 -2.9871562 -2.5819629 -2.5805362
1995 -2.9871562 -2.5819629 -2.5715742
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.09958864171057
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.75573046180108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.15111655909569
variable y0 equal ${yi}
variable y0 equal 6.52915453449718
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.17207472044976
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.59541620747081
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1995 -2.9871562 -2.5819629 -2.5715742
1996 -2.9871562 -2.5819629 -2.5603425
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.15111655909569
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.52915453449718
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.10495061277249
variable y0 equal ${yi}
variable y0 equal 4.66507560366557
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.03687114118435
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.75526603812144
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1996 -2.9871562 -2.5819629 -2.5603425
1997 -2.9871562 -2.5819629 -2.5708525
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.10495061277249
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.66507560366557
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.84459139942466
variable y0 equal ${yi}
variable y0 equal 2.8530292389045
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.87783981203376
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.82051414224007
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1997 -2.9871562 -2.5819629 -2.5708525
1998 -2.9871562 -2.5819629 -2.5859686
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.58596862967669
variable naccept equal ${increment}
variable naccept equal 409
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.57771970509168
variable y0 equal ${yi}
variable y0 equal 0.0528771042823788
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.66661699293729
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.0606420755386349
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1998 -2.9871562 -2.5859686 -2.5859686
1999 -2.9871562 -2.5859686 -2.5449026
Loop time of 7.9155e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.57771970509168
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0528771042823788
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.98599239308387
variable y0 equal ${yi}
variable y0 equal 0.925951715219346
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.96866728980094
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.953124268758622
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
1999 -2.9871562 -2.5859686 -2.5449026
2000 -2.9871562 -2.5859686 -2.5759732
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.98599239308387
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.925951715219346
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.41769959766637
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y -0.00113596916198729
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2000 -2.9871562 -2.5859686 -2.5759732
2001 -2.9871562 -2.5859686 -2.5828968
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.59829139590045
variable y0 equal ${yi}
variable y0 equal 2.77385951253275
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.68121445059558
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.71971592875818
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2001 -2.9871562 -2.5859686 -2.5828968
2002 -2.9871562 -2.5859686 -2.5629621
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.59829139590045
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.77385951253275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.37311956961365
variable y0 equal ${yi}
variable y0 equal 3.73546738190782
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.28048653681488
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.69583767218721
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2002 -2.9871562 -2.5859686 -2.5629621
2003 -2.9871562 -2.5859686 -2.5798144
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.37311956961365
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.73546738190782
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.58555344500963
variable y0 equal ${yi}
variable y0 equal 5.67622888033586
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.56329378047411
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.72029722874361
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2003 -2.9871562 -2.5859686 -2.5798144
2004 -2.9871562 -2.5859686 -2.5611561
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2496.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.58555344500963
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67622888033586
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.85207965015706
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.33472195781764
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2004 -2.9871562 -2.5859686 -2.5611561
2005 -2.9871562 -2.5859686 -2.5832376
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31596373716261
variable y0 equal ${yi}
variable y0 equal 1.83819601914949
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.33333326974775
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.89668469808168
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2005 -2.9871562 -2.5859686 -2.5832376
2006 -2.9871562 -2.5859686 -2.5796914
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31596373716261
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.83819601914949
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.15410325844937
variable y0 equal ${yi}
variable y0 equal 3.75003771348131
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.11356125195676
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.71681254668367
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2006 -2.9871562 -2.5859686 -2.5796914
2007 -2.9871562 -2.5859686 -2.5929069
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.59290685414525
variable naccept equal ${increment}
variable naccept equal 410
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.01815503238536
variable y0 equal ${yi}
variable y0 equal 2.72729808064798
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 7.95727713703014
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.7323107120643
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2007 -2.9871562 -2.5929069 -2.5929069
2008 -2.9871562 -2.5929069 -2.5814741
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.01815503238536
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.72729808064798
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.2670067469206
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0298995852470373
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2008 -2.9871562 -2.5929069 -2.5814741
2009 -2.9871562 -2.5929069 -2.5853411
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.20556546488
variable y0 equal ${yi}
variable y0 equal 0.955296619642108
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.3055400494595
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.921045525777667
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2009 -2.9871562 -2.5929069 -2.5853411
2010 -2.9871562 -2.5929069 -2.5566463
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.20556546488
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.955296619642108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.88832958021805
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.75932477685311
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2010 -2.9871562 -2.5929069 -2.5566463
2011 -2.9871562 -2.5929069 -2.5763617
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.22980598607923
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0642213702201818
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2011 -2.9871562 -2.5929069 -2.5763617
2012 -2.9871562 -2.5929069 -2.5646869
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.23719702163602
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0140643119811987
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2012 -2.9871562 -2.5929069 -2.5646869
2013 -2.9871562 -2.5929069 -2.5774313
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.48090319473516
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y -0.0559932589530945
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2013 -2.9871562 -2.5929069 -2.5774313
2014 -2.9871562 -2.5929069 -2.5862543
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.17772015968667
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.85502150437898
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2014 -2.9871562 -2.5929069 -2.5862543
2015 -2.9871562 -2.5929069 -2.5915987
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.20964491128483
variable y0 equal ${yi}
variable y0 equal 7.4096286090877
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.19551454543629
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.48392205562853
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2015 -2.9871562 -2.5929069 -2.5915987
2016 -2.9871562 -2.5929069 -2.5847651
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.20964491128483
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.4096286090877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.50094277142164
variable y0 equal ${yi}
variable y0 equal 1.79520596644944
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.59002644299146
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.88995120904511
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2016 -2.9871562 -2.5929069 -2.5847651
2017 -2.9871562 -2.5929069 -2.5966258
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.59662578777986
variable naccept equal ${increment}
variable naccept equal 411
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.52396155435811
variable y0 equal ${yi}
variable y0 equal 3.76348131461275
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.49972879726659
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.72246214909685
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2017 -2.9871562 -2.5966258 -2.5966258
2018 -2.9871562 -2.5966258 -2.5923702
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.52396155435811
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.76348131461275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.16994367599049
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.81792937083376
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2018 -2.9871562 -2.5966258 -2.5923702
2019 -2.9871562 -2.5966258 -2.5612915
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68984863638659
variable y0 equal ${yi}
variable y0 equal 6.46641751066677
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.65781292795916
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.5345910145425
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2019 -2.9871562 -2.5966258 -2.5612915
2020 -2.9871562 -2.5966258 -2.5917647
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68984863638659
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46641751066677
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07343188841992
variable y0 equal ${yi}
variable y0 equal 1.85961672446793
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.14681148846799
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.93567071340149
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2020 -2.9871562 -2.5966258 -2.5917647
2021 -2.9871562 -2.5966258 -2.5629957
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.07343188841992
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.85961672446793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.24272296507568
variable y0 equal ${yi}
variable y0 equal 0.0256201386451842
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.30640978892059
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 0.081650197505963
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2021 -2.9871562 -2.5966258 -2.5629957
2022 -2.9871562 -2.5966258 -2.5771068
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.24272296507568
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.0256201386451842
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.88060106316253
variable y0 equal ${yi}
variable y0 equal 0.960105260122139
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.78152232447311
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 1.04020741771491
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2022 -2.9871562 -2.5966258 -2.5771068
2023 -2.9871562 -2.5966258 -2.5538386
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.88060106316253
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.960105260122139
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.20556546488
variable y0 equal ${yi}
variable y0 equal 0.955296619642108
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.1995826128979
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.864627094972461
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2023 -2.9871562 -2.5966258 -2.5538386
2024 -2.9871562 -2.5966258 -2.5778077
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.20556546488
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.955296619642108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.24272296507568
variable y0 equal ${yi}
variable y0 equal 0.0256201386451842
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.15353182633133
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 0.0912428975105406
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2024 -2.9871562 -2.5966258 -2.5778077
2025 -2.9871562 -2.5966258 -2.5579148
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.24272296507568
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.0256201386451842
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.26144794861185
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.6698718542357
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2025 -2.9871562 -2.5966258 -2.5579148
2026 -2.9871562 -2.5966258 -2.5673717
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.58555344500963
variable y0 equal ${yi}
variable y0 equal 5.67622888033586
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.56743538537447
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.72120881025987
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2026 -2.9871562 -2.5966258 -2.5673717
2027 -2.9871562 -2.5966258 -2.5721286
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.58555344500963
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.67622888033586
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.473578496375942
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.72084513875345
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2027 -2.9871562 -2.5966258 -2.5721286
2028 -2.9871562 -2.5966258 -2.5866938
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7265060384922
variable y0 equal ${yi}
variable y0 equal 1.84549867293901
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.7856441338711
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.79936591765947
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2028 -2.9871562 -2.5966258 -2.5866938
2029 -2.9871562 -2.5966258 -2.5868526
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 10.7265060384922
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.84549867293901
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.71264111001922
variable y0 equal ${yi}
variable y0 equal 8.37165092147884
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.66961978872253
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.44000028289852
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2029 -2.9871562 -2.5966258 -2.5868526
2030 -2.9871562 -2.5966258 -2.5853489
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.71264111001922
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.37165092147884
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.76033777196836
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.77299931401178
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2030 -2.9871562 -2.5966258 -2.5853489
2031 -2.9871562 -2.5966258 -2.5674374
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.49992160001662
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.47192105000215
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2031 -2.9871562 -2.5966258 -2.5674374
2032 -2.9871562 -2.5966258 -2.5373526
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.70515512108584
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.29120017208156
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2032 -2.9871562 -2.5966258 -2.5373526
2033 -2.9871562 -2.5966258 -2.5718895
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.88912189522867
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.63716442936823
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2033 -2.9871562 -2.5966258 -2.5718895
2034 -2.9871562 -2.5966258 -2.5893858
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.2513618771206
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.79912212653291
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2034 -2.9871562 -2.5966258 -2.5893858
2035 -2.9871562 -2.5966258 -2.5807711
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68984863638659
variable y0 equal ${yi}
variable y0 equal 6.46641751066677
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.6807752120473
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.46438195244305
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2035 -2.9871562 -2.5966258 -2.5807711
2036 -2.9871562 -2.5966258 -2.5960703
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68984863638659
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46641751066677
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.45546932934839
variable y0 equal ${yi}
variable y0 equal 7.46753717985414
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.38152149437982
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.50004391994737
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2036 -2.9871562 -2.5966258 -2.5960703
2037 -2.9871562 -2.5966258 -2.5870384
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.45546932934839
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.46753717985414
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.16288858372719
variable y0 equal ${yi}
variable y0 equal 4.74496568793221
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.20867232996971
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.65355754250451
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2037 -2.9871562 -2.5966258 -2.5870384
2038 -2.9871562 -2.5966258 -2.5693931
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.16288858372719
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.74496568793221
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54554458140013
variable y0 equal ${yi}
variable y0 equal 3.70140816731585
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.46615565298674
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.72983705563677
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2038 -2.9871562 -2.5966258 -2.5693931
2039 -2.9871562 -2.5966258 -2.5488085
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.54554458140013
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.70140816731585
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.131702781107
variable y0 equal ${yi}
variable y0 equal 8.31063791431484
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.2123769644757
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.36594400323925
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2039 -2.9871562 -2.5966258 -2.5488085
2040 -2.9871562 -2.5966258 -2.5874357
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.131702781107
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.31063791431484
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.15111655909569
variable y0 equal ${yi}
variable y0 equal 6.52915453449718
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.23970435578377
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.47020015255443
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2040 -2.9871562 -2.5966258 -2.5874357
2041 -2.9871562 -2.5966258 -2.5626655
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.15111655909569
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.52915453449718
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54554458140013
variable y0 equal ${yi}
variable y0 equal 3.70140816731585
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.46269917963621
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.79119102521075
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2041 -2.9871562 -2.5966258 -2.5626655
2042 -2.9871562 -2.5966258 -2.5404003
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.54554458140013
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.70140816731585
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.59002644299146
variable y0 equal ${yi}
variable y0 equal 1.88995120904511
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.66306260107633
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.91874177835053
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2042 -2.9871562 -2.5966258 -2.5404003
2043 -2.9871562 -2.5966258 -2.5886537
Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.59002644299146
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.88995120904511
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 0.00866041183467914
variable y0 equal ${yi}
variable y0 equal 5.47490171139435
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 0.0419932842254262
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.37745596115784
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2043 -2.9871562 -2.5966258 -2.5886537
2044 -2.9871562 -2.5966258 -2.5332648
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 0.00866041183467914
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.47490171139435
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07343188841992
variable y0 equal ${yi}
variable y0 equal 1.85961672446793
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.13276222069913
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.89744723222321
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2044 -2.9871562 -2.5966258 -2.5332648
2045 -2.9871562 -2.5966258 -2.5832797
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.07343188841992
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.85961672446793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.74727117021515
variable y0 equal ${yi}
variable y0 equal 6.50648560062877
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.81185597379639
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.57987828985683
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2045 -2.9871562 -2.5966258 -2.5832797
2046 -2.9871562 -2.5966258 -2.5453422
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.74727117021515
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.50648560062877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.09393166898586
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.31682675994928
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2046 -2.9871562 -2.5966258 -2.5453422
2047 -2.9871562 -2.5966258 -2.5891096
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.59002644299146
variable y0 equal ${yi}
variable y0 equal 1.88995120904511
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.52363400934812
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.98875689885682
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2047 -2.9871562 -2.5966258 -2.5891096
2048 -2.9871562 -2.5966258 -2.483854
Loop time of 8.4877e-05 on 1 procs for 1 steps with 100 atoms
1178.2% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.59002644299146
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.88995120904511
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.16288858372719
variable y0 equal ${yi}
variable y0 equal 4.74496568793221
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.08311106879265
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.71763598078652
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2048 -2.9871562 -2.5966258 -2.483854
2049 -2.9871562 -2.5966258 -2.5958427
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.16288858372719
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.74496568793221
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.88503422696582
variable y0 equal ${yi}
variable y0 equal 2.77079973193505
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.92159051854602
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.79073218079903
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2049 -2.9871562 -2.5966258 -2.5958427
2050 -2.9871562 -2.5966258 -2.6010748
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.60107481551554
variable naccept equal ${increment}
variable naccept equal 412
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.16288858372719
variable y0 equal ${yi}
variable y0 equal 4.74496568793221
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.24232537467033
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.80962332838936
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2050 -2.9871562 -2.6010748 -2.6010748
2051 -2.9871562 -2.6010748 -2.5408557
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.16288858372719
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.74496568793221
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.6725699889638
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.75511048191949
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2051 -2.9871562 -2.6010748 -2.5408557
2052 -2.9871562 -2.6010748 -2.5857309
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.7038741310291
variable y0 equal ${yi}
variable y0 equal 3.65389419360293
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.6068031986408
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.56834047598971
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2052 -2.9871562 -2.6010748 -2.5857309
2053 -2.9871562 -2.6010748 -2.5200465
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 10.7038741310291
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.65389419360293
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54554458140013
variable y0 equal ${yi}
variable y0 equal 3.70140816731585
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.4586048173773
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.62496209902895
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2053 -2.9871562 -2.6010748 -2.5200465
2054 -2.9871562 -2.6010748 -2.5168975
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.54554458140013
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.70140816731585
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0322040319442937
variable y0 equal ${yi}
variable y0 equal 7.38692112293505
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 0.107205700874347
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.33556828823351
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2054 -2.9871562 -2.6010748 -2.5168975
2055 -2.9871562 -2.6010748 -2.5862253
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.38692112293505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.33820057629662
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 0.0819049954414404
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2055 -2.9871562 -2.6010748 -2.5862253
2056 -2.9871562 -2.6010748 -2.5749069
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 0.00866041183467914
variable y0 equal ${yi}
variable y0 equal 5.47490171139435
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 0.0324913382529836
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.50569564049439
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2056 -2.9871562 -2.6010748 -2.5749069
2057 -2.9871562 -2.6010748 -2.6032979
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.6032979386677
variable naccept equal ${increment}
variable naccept equal 413
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54554458140013
variable y0 equal ${yi}
variable y0 equal 3.70140816731585
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.45436392305968
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.67944634719027
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2057 -2.9871562 -2.6032979 -2.6032979
2058 -2.9871562 -2.6032979 -2.5342494
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.54554458140013
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.70140816731585
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.35422850051785
variable y0 equal ${yi}
variable y0 equal 7.41203050937915
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.45397657552624
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.38276151743198
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2058 -2.9871562 -2.6032979 -2.5342494
2059 -2.9871562 -2.6032979 -2.5964426
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.35422850051785
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.41203050937915
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.17291624307194
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.72036177678239
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2059 -2.9871562 -2.6032979 -2.5964426
2060 -2.9871562 -2.6032979 -2.5839948
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.35422850051785
variable y0 equal ${yi}
variable y0 equal 7.41203050937915
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.26873528161908
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.44753073778415
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2060 -2.9871562 -2.6032979 -2.5839948
2061 -2.9871562 -2.6032979 -2.5719577
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.35422850051785
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.41203050937915
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7265060384922
variable y0 equal ${yi}
variable y0 equal 1.84549867293901
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.7703439076595
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.77396916530199
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2061 -2.9871562 -2.6032979 -2.5719577
2062 -2.9871562 -2.6032979 -2.5869885
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 10.7265060384922
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.84549867293901
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.54554458140013
variable y0 equal ${yi}
variable y0 equal 3.70140816731585
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.57288145302412
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.68945432467593
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2062 -2.9871562 -2.6032979 -2.5869885
2063 -2.9871562 -2.6032979 -2.6084408
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.60844078200088
variable naccept equal ${increment}
variable naccept equal 414
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.69106418092681
variable y0 equal ${yi}
variable y0 equal 0.920749815214004
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.72328875263167
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.979590900647964
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2063 -2.9871562 -2.6084408 -2.6084408
2064 -2.9871562 -2.6084408 -2.6036571
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.69106418092681
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.920749815214004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.73832246540664
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.29915854063297
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2064 -2.9871562 -2.6084408 -2.6036571
2065 -2.9871562 -2.6084408 -2.587883
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.99828483461239
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.954574580896228
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2065 -2.9871562 -2.6084408 -2.587883
2066 -2.9871562 -2.6084408 -2.5948138
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.525174053111937
variable y0 equal ${yi}
variable y0 equal 0.894475575197066
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.621897263923552
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.950425739991988
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2066 -2.9871562 -2.6084408 -2.5948138
2067 -2.9871562 -2.6084408 -2.5860345
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.894475575197066
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80623258868343
variable y0 equal ${yi}
variable y0 equal 6.50073292986383
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.78012387076503
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.5478436185502
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2067 -2.9871562 -2.6084408 -2.5860345
2068 -2.9871562 -2.6084408 -2.601369
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.80623258868343
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.50073292986383
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.74727117021515
variable y0 equal ${yi}
variable y0 equal 6.50648560062877
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.84643100698425
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.50359961525432
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2068 -2.9871562 -2.6084408 -2.601369
2069 -2.9871562 -2.6084408 -2.5729825
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.74727117021515
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.50648560062877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.18122052589761
variable y0 equal ${yi}
variable y0 equal 7.43532284822726
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.27029046455728
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.47268640127444
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2069 -2.9871562 -2.6084408 -2.5729825
2070 -2.9871562 -2.6084408 -2.5710236
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.18122052589761
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.43532284822726
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68984863638659
variable y0 equal ${yi}
variable y0 equal 6.46641751066677
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.66294412493487
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.42871927753918
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2070 -2.9871562 -2.6084408 -2.5710236
2071 -2.9871562 -2.6084408 -2.6002637
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68984863638659
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46641751066677
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.64853589733076
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.71910745257302
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2071 -2.9871562 -2.6084408 -2.6002637
2072 -2.9871562 -2.6084408 -2.5814271
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.01011228838607
variable y0 equal ${yi}
variable y0 equal 4.6700352584736
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 6.99214203634902
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.57816175574228
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2072 -2.9871562 -2.6084408 -2.5814271
2073 -2.9871562 -2.6084408 -2.5774107
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.01011228838607
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.6700352584736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68984863638659
variable y0 equal ${yi}
variable y0 equal 6.46641751066677
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.78940023064394
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.39243279234402
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2073 -2.9871562 -2.6084408 -2.5774107
2074 -2.9871562 -2.6084408 -2.5546728
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68984863638659
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46641751066677
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.25362108706989
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.8252430276407
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2074 -2.9871562 -2.6084408 -2.5546728
2075 -2.9871562 -2.6084408 -2.5921458
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.57771970509168
variable y0 equal ${yi}
variable y0 equal 0.0528771042823788
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.64655262707349
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y -0.000400447845459333
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2075 -2.9871562 -2.6084408 -2.5921458
2076 -2.9871562 -2.6084408 -2.5833323
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.57771970509168
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0528771042823788
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72890197554714
variable y0 equal ${yi}
variable y0 equal 1.0604893166903
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.77722244778759
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 0.997667058217857
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2076 -2.9871562 -2.6084408 -2.5833323
2077 -2.9871562 -2.6084408 -2.6077844
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72890197554714
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.0604893166903
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7265060384922
variable y0 equal ${yi}
variable y0 equal 1.84549867293901
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.7424187858753
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.82795060060091
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2077 -2.9871562 -2.6084408 -2.6077844
2078 -2.9871562 -2.6084408 -2.6067133
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 10.7265060384922
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.84549867293901
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.576864202419185
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.69530526372293
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2078 -2.9871562 -2.6084408 -2.6067133
2079 -2.9871562 -2.6084408 -2.5870455
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.146871400263
variable y0 equal ${yi}
variable y0 equal 4.57325408810541
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.2036228899023
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.57710585946008
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2079 -2.9871562 -2.6084408 -2.5870455
2080 -2.9871562 -2.6084408 -2.6130804
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.61308039877739
variable naccept equal ${increment}
variable naccept equal 415
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 7.0287161854808
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.76470638486245
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2080 -2.9871562 -2.6130804 -2.6130804
2081 -2.9871562 -2.6130804 -2.5951708
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31596373716261
variable y0 equal ${yi}
variable y0 equal 1.83819601914949
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.33779021898176
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.8717039742238
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2081 -2.9871562 -2.6130804 -2.5951708
2082 -2.9871562 -2.6130804 -2.6116893
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31596373716261
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.83819601914949
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.83569373408442
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.62202629202768
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2082 -2.9871562 -2.6130804 -2.6116893
2083 -2.9871562 -2.6130804 -2.6124389
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.61240752815981
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.72244731539651
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2083 -2.9871562 -2.6130804 -2.6124389
2084 -2.9871562 -2.6130804 -2.6083766
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.4566431474598
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 0.0326084017753637
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2084 -2.9871562 -2.6130804 -2.6083766
2085 -2.9871562 -2.6130804 -2.6030583
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.45546932934839
variable y0 equal ${yi}
variable y0 equal 7.46753717985414
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.51859577416498
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.43633932199739
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2085 -2.9871562 -2.6130804 -2.6030583
2086 -2.9871562 -2.6130804 -2.6022751
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.45546932934839
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.46753717985414
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.49737423816149
variable y0 equal ${yi}
variable y0 equal 9.2278668593201
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.45666847386782
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.24673350560993
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2086 -2.9871562 -2.6130804 -2.6022751
2087 -2.9871562 -2.6130804 -2.6086231
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.49737423816149
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.2278668593201
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.645550711551571
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.68618227216104
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2087 -2.9871562 -2.6130804 -2.6086231
2088 -2.9871562 -2.6130804 -2.5477924
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.66362923859236
variable y0 equal ${yi}
variable y0 equal 5.65359488671022
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.61460631369231
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.69201638643938
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2088 -2.9871562 -2.6130804 -2.5477924
2089 -2.9871562 -2.6130804 -2.5900462
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.66362923859236
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.65359488671022
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.66362923859236
variable y0 equal ${yi}
variable y0 equal 5.65359488671022
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.56851518629668
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.71247581188875
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2089 -2.9871562 -2.6130804 -2.5900462
2090 -2.9871562 -2.6130804 -2.5503953
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.66362923859236
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.65359488671022
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.131702781107
variable y0 equal ${yi}
variable y0 equal 8.31063791431484
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.114931083109
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.29968972124157
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2090 -2.9871562 -2.6130804 -2.5503953
2091 -2.9871562 -2.6130804 -2.6085574
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.131702781107
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.31063791431484
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.37311956961365
variable y0 equal ${yi}
variable y0 equal 3.73546738190782
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.46470931847306
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.82888581318986
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2091 -2.9871562 -2.6130804 -2.6085574
2092 -2.9871562 -2.6130804 -2.3827011
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.37311956961365
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.73546738190782
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.49737423816149
variable y0 equal ${yi}
variable y0 equal 9.2278668593201
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.40813176789706
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.24877109039157
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2092 -2.9871562 -2.6130804 -2.3827011
2093 -2.9871562 -2.6130804 -2.5841332
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.49737423816149
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.2278668593201
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.09958864171057
variable y0 equal ${yi}
variable y0 equal 2.75573046180108
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.17355055529623
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.77106637927392
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2093 -2.9871562 -2.6130804 -2.5841332
2094 -2.9871562 -2.6130804 -2.5914282
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.09958864171057
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.75573046180108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.84254707057468
variable y0 equal ${yi}
variable y0 equal 0.912364717233509
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.80643229444019
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.955311151254505
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2094 -2.9871562 -2.6130804 -2.5914282
2095 -2.9871562 -2.6130804 -2.6084448
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.84254707057468
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.912364717233509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.55930349707384
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.71263198012277
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2095 -2.9871562 -2.6130804 -2.6084448
2096 -2.9871562 -2.6130804 -2.6028301
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78193971434718
variable y0 equal ${yi}
variable y0 equal 8.31736352361736
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.80529048958903
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.27772569574413
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2096 -2.9871562 -2.6130804 -2.6028301
2097 -2.9871562 -2.6130804 -2.6054953
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78193971434718
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.31736352361736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.30257943312036
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.56356129591661
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2097 -2.9871562 -2.6130804 -2.6054953
2098 -2.9871562 -2.6130804 -2.5985934
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.84254707057468
variable y0 equal ${yi}
variable y0 equal 0.912364717233509
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.94123060662738
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.956614466417164
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2098 -2.9871562 -2.6130804 -2.5985934
2099 -2.9871562 -2.6130804 -2.5813746
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.84254707057468
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.912364717233509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.7038741310291
variable y0 equal ${yi}
variable y0 equal 3.65389419360293
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.633286305254
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.69973904652728
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2099 -2.9871562 -2.6130804 -2.5813746
2100 -2.9871562 -2.6130804 -2.5984025
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 10.7038741310291
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.65389419360293
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 1.09178573210888
variable y0 equal ${yi}
variable y0 equal 5.57776011173921
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 0.994692245322991
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.54654970114427
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2100 -2.9871562 -2.6130804 -2.5984025
2101 -2.9871562 -2.6130804 -2.5912665
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 63 x ${x0}
set atom 63 x 1.09178573210888
1 settings made for x
set atom $i y ${y0}
set atom 63 y ${y0}
set atom 63 y 5.57776011173921
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.85650510429677
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.3835609785467
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2101 -2.9871562 -2.6130804 -2.5912665
2102 -2.9871562 -2.6130804 -2.6095238
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.20964491128483
variable y0 equal ${yi}
variable y0 equal 7.4096286090877
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.22349263190785
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.48321880426669
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2102 -2.9871562 -2.6130804 -2.6095238
2103 -2.9871562 -2.6130804 -2.6086244
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.20964491128483
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.4096286090877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.59002644299146
variable y0 equal ${yi}
variable y0 equal 1.88995120904511
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.58818526743528
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.79969125173157
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2103 -2.9871562 -2.6130804 -2.6086244
2104 -2.9871562 -2.6130804 -2.6200879
Loop time of 7.9155e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.6200879197493
variable naccept equal ${increment}
variable naccept equal 416
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.09958864171057
variable y0 equal ${yi}
variable y0 equal 2.75573046180108
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.11790669877081
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.78082419606545
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2104 -2.9871562 -2.6200879 -2.6200879
2105 -2.9871562 -2.6200879 -2.6153046
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.09958864171057
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.75573046180108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.73927835383837
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.43643005218769
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2105 -2.9871562 -2.6200879 -2.6153046
2106 -2.9871562 -2.6200879 -2.602295
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.84254707057468
variable y0 equal ${yi}
variable y0 equal 0.912364717233509
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.85205892283908
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.848480756986469
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2106 -2.9871562 -2.6200879 -2.602295
2107 -2.9871562 -2.6200879 -2.6065601
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.84254707057468
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.912364717233509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1268543247244
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.81691535683969
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2107 -2.9871562 -2.6200879 -2.6065601
2108 -2.9871562 -2.6200879 -2.6123192
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.78276804658273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.01011228838607
variable y0 equal ${yi}
variable y0 equal 4.6700352584736
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.02137503901168
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.76226057166025
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2108 -2.9871562 -2.6200879 -2.6123192
2109 -2.9871562 -2.6200879 -2.5793092
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.01011228838607
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.6700352584736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.40227376301499
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.49180651848514
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2109 -2.9871562 -2.6200879 -2.5793092
2110 -2.9871562 -2.6200879 -2.6176255
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.14267817496817
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 0.00796296596528055
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2110 -2.9871562 -2.6200879 -2.6176255
2111 -2.9871562 -2.6200879 -2.6096072
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.12744101880885
variable y0 equal ${yi}
variable y0 equal 6.56631985441675
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.0827975571046
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.62058724895944
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2111 -2.9871562 -2.6200879 -2.6096072
2112 -2.9871562 -2.6200879 -2.615825
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.12744101880885
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.56631985441675
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.20964491128483
variable y0 equal ${yi}
variable y0 equal 7.4096286090877
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.28255841493168
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.50208472337984
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2112 -2.9871562 -2.6200879 -2.615825
2113 -2.9871562 -2.6200879 -2.6012276
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.20964491128483
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.4096286090877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.23980398813593
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.55024149363237
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2113 -2.9871562 -2.6200879 -2.6012276
2114 -2.9871562 -2.6200879 -2.6184157
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.69106418092681
variable y0 equal ${yi}
variable y0 equal 0.920749815214004
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.71659301717711
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.993120976198043
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2114 -2.9871562 -2.6200879 -2.6184157
2115 -2.9871562 -2.6200879 -2.6145995
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.69106418092681
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.920749815214004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.71264111001922
variable y0 equal ${yi}
variable y0 equal 8.37165092147884
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.71496112544967
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.36825541175899
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2115 -2.9871562 -2.6200879 -2.6145995
2116 -2.9871562 -2.6200879 -2.6200035
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.71264111001922
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.37165092147884
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.10495061277249
variable y0 equal ${yi}
variable y0 equal 4.66507560366557
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.02358734010556
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.70106228941844
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2116 -2.9871562 -2.6200879 -2.6200035
2117 -2.9871562 -2.6200879 -2.6127151
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.10495061277249
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.66507560366557
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.77769045471486
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.40564451135692
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2117 -2.9871562 -2.6200879 -2.6127151
2118 -2.9871562 -2.6200879 -2.6144668
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.95269535421668
variable y0 equal ${yi}
variable y0 equal 4.50253551358148
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 5.01379267811118
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.55057667845651
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2118 -2.9871562 -2.6200879 -2.6144668
2119 -2.9871562 -2.6200879 -2.6151538
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.95269535421668
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.50253551358148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.13902074734077
variable y0 equal ${yi}
variable y0 equal 9.29444277990191
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.22520183960304
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.33449799526064
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2119 -2.9871562 -2.6200879 -2.6151538
2120 -2.9871562 -2.6200879 -2.6039994
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.13902074734077
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 9.29444277990191
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7265060384922
variable y0 equal ${yi}
variable y0 equal 1.84549867293901
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.7632713158779
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.82145874879427
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2120 -2.9871562 -2.6200879 -2.6039994
2121 -2.9871562 -2.6200879 -2.6167432
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 10.7265060384922
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.84549867293901
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.49922751902657
variable y0 equal ${yi}
variable y0 equal 5.52039463465411
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.4561936092289
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.48818509524066
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2121 -2.9871562 -2.6200879 -2.6167432
2122 -2.9871562 -2.6200879 -2.6023197
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.49922751902657
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.52039463465411
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.88060106316253
variable y0 equal ${yi}
variable y0 equal 0.960105260122139
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.78331792631789
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.960430355775673
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2122 -2.9871562 -2.6200879 -2.6023197
2123 -2.9871562 -2.6200879 -2.587116
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.88060106316253
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.960105260122139
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.52396155435811
variable y0 equal ${yi}
variable y0 equal 3.76348131461275
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.57654489118825
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.81131917996538
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2123 -2.9871562 -2.6200879 -2.587116
2124 -2.9871562 -2.6200879 -2.6063564
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.52396155435811
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.76348131461275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.95269535421668
variable y0 equal ${yi}
variable y0 equal 4.50253551358148
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.94949764847098
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.44274565333291
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2124 -2.9871562 -2.6200879 -2.6063564
2125 -2.9871562 -2.6200879 -2.5385927
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.95269535421668
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.50253551358148
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31596373716261
variable y0 equal ${yi}
variable y0 equal 1.83819601914949
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.22645022073652
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.75900538346834
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2125 -2.9871562 -2.6200879 -2.5385927
2126 -2.9871562 -2.6200879 -2.57439
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31596373716261
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.83819601914949
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.131702781107
variable y0 equal ${yi}
variable y0 equal 8.31063791431484
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.2269450549145
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.28602925457058
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2126 -2.9871562 -2.6200879 -2.57439
2127 -2.9871562 -2.6200879 -2.6131375
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.131702781107
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.31063791431484
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 1.02897904236965
variable y0 equal ${yi}
variable y0 equal 9.27259716499179
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 0.93149653990917
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.2924638341698
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2127 -2.9871562 -2.6200879 -2.6131375
2128 -2.9871562 -2.6200879 -2.6058255
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 3 x ${x0}
set atom 3 x 1.02897904236965
1 settings made for x
set atom $i y ${y0}
set atom 3 y ${y0}
set atom 3 y 9.27259716499179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.51557409285624
variable y0 equal ${yi}
variable y0 equal 3.75448479218613
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.55205233811457
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.82917621894013
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2128 -2.9871562 -2.6200879 -2.6058255
2129 -2.9871562 -2.6200879 -2.5924847
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.51557409285624
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.75448479218613
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.41578329323846
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 0.000196850299838794
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2129 -2.9871562 -2.6200879 -2.5924847
2130 -2.9871562 -2.6200879 -2.6197265
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78193971434718
variable y0 equal ${yi}
variable y0 equal 8.31736352361736
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.70840985098964
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.24727023757992
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2130 -2.9871562 -2.6200879 -2.6197265
2131 -2.9871562 -2.6200879 -2.5958322
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78193971434718
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.31736352361736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.18122052589761
variable y0 equal ${yi}
variable y0 equal 7.43532284822726
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.2494419757496
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.518750861552
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2131 -2.9871562 -2.6200879 -2.5958322
2132 -2.9871562 -2.6200879 -2.5847612
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.18122052589761
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.43532284822726
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.12337232230998
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.28358571447428
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2132 -2.9871562 -2.6200879 -2.5847612
2133 -2.9871562 -2.6200879 -2.6025478
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.7038741310291
variable y0 equal ${yi}
variable y0 equal 3.65389419360293
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.6059737880878
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.69498593373431
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2133 -2.9871562 -2.6200879 -2.6025478
2134 -2.9871562 -2.6200879 -2.59689
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 10.7038741310291
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.65389419360293
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.20964491128483
variable y0 equal ${yi}
variable y0 equal 7.4096286090877
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.2147117829279
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.31519803133273
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2134 -2.9871562 -2.6200879 -2.59689
2135 -2.9871562 -2.6200879 -2.5810694
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.20964491128483
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.4096286090877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.51557409285624
variable y0 equal ${yi}
variable y0 equal 3.75448479218613
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.41877715109904
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.6553682164682
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2135 -2.9871562 -2.6200879 -2.5810694
2136 -2.9871562 -2.6200879 -2.5694547
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.51557409285624
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.75448479218613
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.98599239308387
variable y0 equal ${yi}
variable y0 equal 0.925951715219346
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.97489865738899
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.975417896020738
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2136 -2.9871562 -2.6200879 -2.5694547
2137 -2.9871562 -2.6200879 -2.6069619
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.98599239308387
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.925951715219346
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.31808795690099
variable y0 equal ${yi}
variable y0 equal 5.6091846699019
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.30972831010381
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.57299091761308
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2137 -2.9871562 -2.6200879 -2.6069619
2138 -2.9871562 -2.6200879 -2.6225973
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.6225973127486
variable naccept equal ${increment}
variable naccept equal 417
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.12744101880885
variable y0 equal ${yi}
variable y0 equal 6.56631985441675
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.06254464982844
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.65305718914499
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2138 -2.9871562 -2.6225973 -2.6225973
2139 -2.9871562 -2.6225973 -2.5998862
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.12744101880885
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.56631985441675
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.58818526743528
variable y0 equal ${yi}
variable y0 equal 1.79969125173157
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.58521930454847
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.81828533790177
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2139 -2.9871562 -2.6225973 -2.5998862
2140 -2.9871562 -2.6225973 -2.6236487
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.62364873252181
variable naccept equal ${increment}
variable naccept equal 418
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.98550258834353
variable y0 equal ${yi}
variable y0 equal 6.47227353588572
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.89791622121325
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.39410578743449
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2140 -2.9871562 -2.6236487 -2.6236487
2141 -2.9871562 -2.6236487 -2.5969675
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.98550258834353
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.47227353588572
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.84254707057468
variable y0 equal ${yi}
variable y0 equal 0.912364717233509
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.87521219213001
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.994567557084888
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2141 -2.9871562 -2.6236487 -2.5969675
2142 -2.9871562 -2.6236487 -2.6143354
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.84254707057468
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.912364717233509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 7.96191276906825
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.36252727426584
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2142 -2.9871562 -2.6236487 -2.6143354
2143 -2.9871562 -2.6236487 -2.6076814
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.29028950968
variable y0 equal ${yi}
variable y0 equal 6.46599212423793
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.3269579891226
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.38312428728572
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2143 -2.9871562 -2.6236487 -2.6076814
2144 -2.9871562 -2.6236487 -2.6039298
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.29028950968
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.46599212423793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.65343800981474
variable y0 equal ${yi}
variable y0 equal 2.85940663787225
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.65179307659102
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.85066882344583
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2144 -2.9871562 -2.6236487 -2.6039298
2145 -2.9871562 -2.6236487 -2.6241195
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.62411949608528
variable naccept equal ${increment}
variable naccept equal 419
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.54070384342442
variable y0 equal ${yi}
variable y0 equal 5.62746680920321
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.52148601848851
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.57813051884371
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2145 -2.9871562 -2.6241195 -2.6241195
2146 -2.9871562 -2.6241195 -2.6300298
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.63002982078278
variable naccept equal ${increment}
variable naccept equal 420
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.21367698351251
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.83594119115007
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2146 -2.9871562 -2.6300298 -2.6300298
2147 -2.9871562 -2.6300298 -2.6199512
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.509818597236538
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.85319542857507
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2147 -2.9871562 -2.6300298 -2.6199512
2148 -2.9871562 -2.6300298 -2.6147826
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.45119087536107
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.50670339193606
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2148 -2.9871562 -2.6300298 -2.6147826
2149 -2.9871562 -2.6300298 -2.603663
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.71933239896727
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.76648275011941
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2149 -2.9871562 -2.6300298 -2.603663
2150 -2.9871562 -2.6300298 -2.5927919
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.98599239308387
variable y0 equal ${yi}
variable y0 equal 0.925951715219346
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.93179502207786
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.948751588571397
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2150 -2.9871562 -2.6300298 -2.5927919
2151 -2.9871562 -2.6300298 -2.61037
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.98599239308387
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.925951715219346
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.57771970509168
variable y0 equal ${yi}
variable y0 equal 0.0528771042823788
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.66187344072934
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.0345873475074765
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2151 -2.9871562 -2.6300298 -2.61037
2152 -2.9871562 -2.6300298 -2.5936973
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.57771970509168
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0528771042823788
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.48750804502736
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.45525549974704
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2152 -2.9871562 -2.6300298 -2.5936973
2153 -2.9871562 -2.6300298 -2.6272691
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.52148601848851
variable y0 equal ${yi}
variable y0 equal 5.57813051884371
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.49765412647496
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.61887504999834
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2153 -2.9871562 -2.6300298 -2.6272691
2154 -2.9871562 -2.6300298 -2.6124774
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 75 x ${x0}
set atom 75 x 7.52148601848851
1 settings made for x
set atom $i y ${y0}
set atom 75 y ${y0}
set atom 75 y 5.57813051884371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.77766234516441
variable y0 equal ${yi}
variable y0 equal 0.927607925641864
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.84027757286369
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.939836986768573
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2154 -2.9871562 -2.6300298 -2.6124774
2155 -2.9871562 -2.6300298 -2.6198505
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.927607925641864
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.57288145302412
variable y0 equal ${yi}
variable y0 equal 3.68945432467593
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.59767272947905
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.63454348607196
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2155 -2.9871562 -2.6300298 -2.6198505
2156 -2.9871562 -2.6300298 -2.6234128
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.57288145302412
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.68945432467593
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.525174053111937
variable y0 equal ${yi}
variable y0 equal 0.894475575197066
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.561173851886656
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.96259361099037
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2156 -2.9871562 -2.6300298 -2.6234128
2157 -2.9871562 -2.6300298 -2.6232034
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.894475575197066
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.71264111001922
variable y0 equal ${yi}
variable y0 equal 8.37165092147884
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.6349093218608
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.37413177408275
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2157 -2.9871562 -2.6300298 -2.6232034
2158 -2.9871562 -2.6300298 -2.6175069
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.71264111001922
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.37165092147884
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.22737614551888
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.80675087733399
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2158 -2.9871562 -2.6300298 -2.6175069
2159 -2.9871562 -2.6300298 -2.621983
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80623258868343
variable y0 equal ${yi}
variable y0 equal 6.50073292986383
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.8936877421487
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.46438070074548
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2159 -2.9871562 -2.6300298 -2.621983
2160 -2.9871562 -2.6300298 -2.6187508
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.80623258868343
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.50073292986383
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.35552197773667
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.31590668287539
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2160 -2.9871562 -2.6300298 -2.6187508
2161 -2.9871562 -2.6300298 -2.6084269
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72890197554714
variable y0 equal ${yi}
variable y0 equal 1.0604893166903
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.69528594533092
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.04593522142205
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2161 -2.9871562 -2.6300298 -2.6084269
2162 -2.9871562 -2.6300298 -2.6296063
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72890197554714
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.0604893166903
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.89040735601722
variable y0 equal ${yi}
variable y0 equal 6.45623155371179
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.851180287593
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.52295089498987
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2162 -2.9871562 -2.6300298 -2.6296063
2163 -2.9871562 -2.6300298 -2.6208491
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.89040735601722
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.45623155371179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.39618613559972
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y -0.00179249048233031
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2163 -2.9871562 -2.6300298 -2.6208491
2164 -2.9871562 -2.6300298 -2.6210892
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.57771970509168
variable y0 equal ${yi}
variable y0 equal 0.0528771042823788
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.64814867256757
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.10313868522644
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2164 -2.9871562 -2.6300298 -2.6210892
2165 -2.9871562 -2.6300298 -2.6001981
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.57771970509168
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0528771042823788
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.5878455599004
variable y0 equal ${yi}
variable y0 equal 9.28117802846759
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.5800406058484
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.29389863717883
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2165 -2.9871562 -2.6300298 -2.6001981
2166 -2.9871562 -2.6300298 -2.6272467
Loop time of 3.88622e-05 on 1 procs for 1 steps with 100 atoms
2573.2% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.5878455599004
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.28117802846759
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.92159051854602
variable y0 equal ${yi}
variable y0 equal 2.79073218079903
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.92034897763721
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.80042437287667
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2166 -2.9871562 -2.6300298 -2.6272467
2167 -2.9871562 -2.6300298 -2.6322889
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.63228891003272
variable naccept equal ${increment}
variable naccept equal 421
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.59829139590045
variable y0 equal ${yi}
variable y0 equal 2.77385951253275
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.4987298834302
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.85646014186243
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2167 -2.9871562 -2.6322889 -2.6322889
2168 -2.9871562 -2.6322889 -2.5793617
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.59829139590045
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.77385951253275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.09315902630196
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.93753177306718
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2168 -2.9871562 -2.6322889 -2.5793617
2169 -2.9871562 -2.6322889 -2.614135
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.98550258834353
variable y0 equal ${yi}
variable y0 equal 6.47227353588572
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.90453726012698
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.54901037947169
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2169 -2.9871562 -2.6322889 -2.614135
2170 -2.9871562 -2.6322889 -2.6215569
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.98550258834353
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.47227353588572
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1320222262403
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.69859794350961
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2170 -2.9871562 -2.6322889 -2.6215569
2171 -2.9871562 -2.6322889 -2.6288003
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2496.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.78276804658273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07343188841992
variable y0 equal ${yi}
variable y0 equal 1.85961672446793
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.12613419612103
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.80544604442185
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2171 -2.9871562 -2.6322889 -2.6288003
2172 -2.9871562 -2.6322889 -2.621496
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.07343188841992
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.85961672446793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.26636731068002
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.62028306668001
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2172 -2.9871562 -2.6322889 -2.621496
2173 -2.9871562 -2.6322889 -2.6236692
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.01636735795833
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.26556610979135
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2173 -2.9871562 -2.6322889 -2.6236692
2174 -2.9871562 -2.6322889 -2.6203641
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.77766234516441
variable y0 equal ${yi}
variable y0 equal 0.927607925641864
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.77048265575706
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.924355049836963
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2174 -2.9871562 -2.6322889 -2.6203641
2175 -2.9871562 -2.6322889 -2.6320058
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.927607925641864
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 0.0324913382529836
variable y0 equal ${yi}
variable y0 equal 5.50569564049439
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 0.0636872649192434
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.53414071743683
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2175 -2.9871562 -2.6322889 -2.6320058
2176 -2.9871562 -2.6322889 -2.6306367
Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms
2511.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 0.0324913382529836
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.50569564049439
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.98550258834353
variable y0 equal ${yi}
variable y0 equal 6.47227353588572
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 6.03180845935336
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.39347034231654
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2176 -2.9871562 -2.6322889 -2.6306367
2177 -2.9871562 -2.6322889 -2.6120081
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.98550258834353
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.47227353588572
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78193971434718
variable y0 equal ${yi}
variable y0 equal 8.31736352361736
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.81691999951487
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.36904389776287
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2177 -2.9871562 -2.6322889 -2.6120081
2178 -2.9871562 -2.6322889 -2.6272706
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78193971434718
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.31736352361736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.41105691034568
variable y0 equal ${yi}
variable y0 equal 1.86285059831208
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.46483083803428
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.91416575095719
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2178 -2.9871562 -2.6322889 -2.6272706
2179 -2.9871562 -2.6322889 -2.6138827
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 35 x ${x0}
set atom 35 x 7.41105691034568
1 settings made for x
set atom $i y ${y0}
set atom 35 y ${y0}
set atom 35 y 1.86285059831208
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.35099447487909
variable y0 equal ${yi}
variable y0 equal 1.92307773015564
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.40857841490823
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 1.93947959325378
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2179 -2.9871562 -2.6322889 -2.6138827
2180 -2.9871562 -2.6322889 -2.6300536
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 33 x ${x0}
set atom 33 x 6.35099447487909
1 settings made for x
set atom $i y ${y0}
set atom 33 y ${y0}
set atom 33 y 1.92307773015564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.33377490440275
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0986716747283911
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2180 -2.9871562 -2.6322889 -2.6300536
2181 -2.9871562 -2.6322889 -2.6040488
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.56246399083997
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.82391414208543
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2181 -2.9871562 -2.6322889 -2.6040488
2182 -2.9871562 -2.6322889 -2.5518993
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.50235789218808
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.73372400565278
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68984863638659
variable y0 equal ${yi}
variable y0 equal 6.46641751066677
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.71058839440127
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.40961356894009
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2182 -2.9871562 -2.6322889 -2.5518993
2183 -2.9871562 -2.6322889 -2.6201289
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68984863638659
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46641751066677
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.131702781107
variable y0 equal ${yi}
variable y0 equal 8.31063791431484
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1170206431408
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.22587324298916
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2183 -2.9871562 -2.6322889 -2.6201289
2184 -2.9871562 -2.6322889 -2.5977447
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.131702781107
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.31063791431484
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.45325187602465
variable y0 equal ${yi}
variable y0 equal 1.81180926940507
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.45206713834231
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.71919764659471
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2184 -2.9871562 -2.6322889 -2.5977447
2185 -2.9871562 -2.6322889 -2.572987
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 37 x ${x0}
set atom 37 x 8.45325187602465
1 settings made for x
set atom $i y ${y0}
set atom 37 y ${y0}
set atom 37 y 1.81180926940507
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.30447902122842
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.49337648098665
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2185 -2.9871562 -2.6322889 -2.572987
2186 -2.9871562 -2.6322889 -2.5833659
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.72909265040038
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.37319054928089
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2186 -2.9871562 -2.6322889 -2.5833659
2187 -2.9871562 -2.6322889 -2.6313097
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 8.04629015325405
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.991149731386035
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2187 -2.9871562 -2.6322889 -2.6313097
2188 -2.9871562 -2.6322889 -2.5606987
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.72629815815566
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.43253261175418
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2188 -2.9871562 -2.6322889 -2.5606987
2189 -2.9871562 -2.6322889 -2.6230473
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78193971434718
variable y0 equal ${yi}
variable y0 equal 8.31736352361736
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.72285469094401
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.26033793605861
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2189 -2.9871562 -2.6322889 -2.6230473
2190 -2.9871562 -2.6322889 -2.6171205
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78193971434718
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.31736352361736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.12744101880885
variable y0 equal ${yi}
variable y0 equal 6.56631985441675
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.11976422666408
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.57524594799509
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2190 -2.9871562 -2.6322889 -2.6171205
2191 -2.9871562 -2.6322889 -2.6338345
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.63383448170289
variable naccept equal ${increment}
variable naccept equal 422
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54984512486879
variable y0 equal ${yi}
variable y0 equal 3.69442252679001
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.53393265166704
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.68288493914734
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2191 -2.9871562 -2.6338345 -2.6338345
2192 -2.9871562 -2.6338345 -2.6328952
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.54984512486879
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.69442252679001
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.56698740560781
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.52560106840396
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2192 -2.9871562 -2.6338345 -2.6328952
2193 -2.9871562 -2.6338345 -2.5925507
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.15111655909569
variable y0 equal ${yi}
variable y0 equal 6.52915453449718
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.12499762494118
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.61235633627407
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2193 -2.9871562 -2.6338345 -2.5925507
2194 -2.9871562 -2.6338345 -2.5887344
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.15111655909569
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.52915453449718
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.01011228838607
variable y0 equal ${yi}
variable y0 equal 4.6700352584736
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.08131275454208
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.58683464878961
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2194 -2.9871562 -2.6338345 -2.5887344
2195 -2.9871562 -2.6338345 -2.6031246
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.01011228838607
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.6700352584736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7265060384922
variable y0 equal ${yi}
variable y0 equal 1.84549867293901
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.7447922309093
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.85953156135149
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2195 -2.9871562 -2.6338345 -2.6031246
2196 -2.9871562 -2.6338345 -2.6342992
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.63429916592371
variable naccept equal ${increment}
variable naccept equal 423
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 74
variable x0 equal ${xi}
variable x0 equal 7.04742242375061
variable y0 equal ${yi}
variable y0 equal 6.46128811375131
set atom $i x ${xnew}
set atom 74 x ${xnew}
set atom 74 x 7.13373081961319
1 settings made for x
set atom $i y ${ynew}
set atom 74 y ${ynew}
set atom 74 y 6.41826692358484
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2196 -2.9871562 -2.6342992 -2.6342992
2197 -2.9871562 -2.6342992 -2.5868344
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 74 x ${x0}
set atom 74 x 7.04742242375061
1 settings made for x
set atom $i y ${y0}
set atom 74 y ${y0}
set atom 74 y 6.46128811375131
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.58315851568957
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.4696780196577
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2197 -2.9871562 -2.6342992 -2.5868344
2198 -2.9871562 -2.6342992 -2.6105888
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.98550258834353
variable y0 equal ${yi}
variable y0 equal 6.47227353588572
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.90427672822466
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.52109033600321
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2198 -2.9871562 -2.6342992 -2.6105888
2199 -2.9871562 -2.6342992 -2.6267697
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.98550258834353
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.47227353588572
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.65504903673907
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.70091630572244
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2199 -2.9871562 -2.6342992 -2.6267697
2200 -2.9871562 -2.6342992 -2.6337751
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.16867010354557
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.66352042718065
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2200 -2.9871562 -2.6342992 -2.6337751
2201 -2.9871562 -2.6342992 -2.5990786
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.35422850051785
variable y0 equal ${yi}
variable y0 equal 7.41203050937915
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.36143123308087
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.41034705963397
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2201 -2.9871562 -2.6342992 -2.5990786
2202 -2.9871562 -2.6342992 -2.6351018
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.63510179114588
variable naccept equal ${increment}
variable naccept equal 424
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.08702215551235
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.32450740255411
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2202 -2.9871562 -2.6351018 -2.6351018
2203 -2.9871562 -2.6351018 -2.6286257
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.58555344500963
variable y0 equal ${yi}
variable y0 equal 5.67622888033586
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.56843688645784
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.60343744700151
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2203 -2.9871562 -2.6351018 -2.6286257
2204 -2.9871562 -2.6351018 -2.6400046
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.64000457866274
variable naccept equal ${increment}
variable naccept equal 425
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.10495061277249
variable y0 equal ${yi}
variable y0 equal 4.66507560366557
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.17066257594922
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.71952209824488
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2204 -2.9871562 -2.6400046 -2.6400046
2205 -2.9871562 -2.6400046 -2.6139619
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.10495061277249
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.66507560366557
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.51590118248235
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y -0.0645892143249512
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2205 -2.9871562 -2.6400046 -2.6139619
2206 -2.9871562 -2.6400046 -2.6259376
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.6009168970563
variable y0 equal ${yi}
variable y0 equal 0.937610264528124
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.55396683096667
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.992782159555285
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2206 -2.9871562 -2.6400046 -2.6259376
2207 -2.9871562 -2.6400046 -2.6252524
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.6009168970563
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.937610264528124
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.52148601848851
variable y0 equal ${yi}
variable y0 equal 5.57813051884371
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.51376069624196
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.54271740858751
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2207 -2.9871562 -2.6400046 -2.6252524
2208 -2.9871562 -2.6400046 -2.6371516
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 75 x ${x0}
set atom 75 x 7.52148601848851
1 settings made for x
set atom $i y ${y0}
set atom 75 y ${y0}
set atom 75 y 5.57813051884371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.76883873222945
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.34022552099491
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2208 -2.9871562 -2.6400046 -2.6371516
2209 -2.9871562 -2.6400046 -2.6297792
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.72996987302732
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.70884538048669
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2209 -2.9871562 -2.6400046 -2.6297792
2210 -2.9871562 -2.6400046 -2.6345707
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 7.99520061611034
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.29110680736597
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2210 -2.9871562 -2.6400046 -2.6345707
2211 -2.9871562 -2.6400046 -2.6297228
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 0.0324913382529836
variable y0 equal ${yi}
variable y0 equal 5.50569564049439
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 0.0358376145362478
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.43615223114686
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2211 -2.9871562 -2.6400046 -2.6297228
2212 -2.9871562 -2.6400046 -2.6189536
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 0.0324913382529836
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.50569564049439
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68984863638659
variable y0 equal ${yi}
variable y0 equal 6.46641751066677
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.64926711201449
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.42752619520656
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2212 -2.9871562 -2.6400046 -2.6189536
2213 -2.9871562 -2.6400046 -2.6285041
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68984863638659
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46641751066677
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.57288145302412
variable y0 equal ${yi}
variable y0 equal 3.68945432467593
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.54570526360151
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.7519022302164
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2213 -2.9871562 -2.6400046 -2.6285041
2214 -2.9871562 -2.6400046 -2.6342096
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.57288145302412
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.68945432467593
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.67618905504179
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.72777192944451
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2214 -2.9871562 -2.6400046 -2.6342096
2215 -2.9871562 -2.6400046 -2.6182832
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.66362923859236
variable y0 equal ${yi}
variable y0 equal 5.65359488671022
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.59947838066694
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.67939071600633
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2215 -2.9871562 -2.6400046 -2.6182832
2216 -2.9871562 -2.6400046 -2.6191633
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.66362923859236
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.65359488671022
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.62403216242571
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.29291338838634
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2216 -2.9871562 -2.6400046 -2.6191633
2217 -2.9871562 -2.6400046 -2.6267658
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1167970065137
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.82928897115091
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2217 -2.9871562 -2.6400046 -2.6267658
2218 -2.9871562 -2.6400046 -2.6275431
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.78276804658273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.33048575321104
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.61187879984575
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2218 -2.9871562 -2.6400046 -2.6275431
2219 -2.9871562 -2.6400046 -2.600824
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.51125212747823
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.0327272295951843
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2219 -2.9871562 -2.6400046 -2.600824
2220 -2.9871562 -2.6400046 -2.6316097
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.46753388483297
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0335806965827942
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.4954539732131
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.67961403104166
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2220 -2.9871562 -2.6400046 -2.6316097
2221 -2.9871562 -2.6400046 -2.6108998
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.69106418092681
variable y0 equal ${yi}
variable y0 equal 0.920749815214004
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.75544536312057
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.859600444543685
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2221 -2.9871562 -2.6400046 -2.6108998
2222 -2.9871562 -2.6400046 -2.6087973
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.69106418092681
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.920749815214004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.01011228838607
variable y0 equal ${yi}
variable y0 equal 4.6700352584736
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.00678724327727
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.66030267828866
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2222 -2.9871562 -2.6400046 -2.6087973
2223 -2.9871562 -2.6400046 -2.6405961
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.64059614290171
variable naccept equal ${increment}
variable naccept equal 426
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.11815181096249
variable y0 equal ${yi}
variable y0 equal 7.44427507248187
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.1602623256033
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.49009318676257
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2223 -2.9871562 -2.6405961 -2.6405961
2224 -2.9871562 -2.6405961 -2.6305458
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.11815181096249
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.44427507248187
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.37311956961365
variable y0 equal ${yi}
variable y0 equal 3.73546738190782
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.40494968970032
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.70771776003969
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2224 -2.9871562 -2.6405961 -2.6305458
2225 -2.9871562 -2.6405961 -2.6364564
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.37311956961365
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.73546738190782
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.20964491128483
variable y0 equal ${yi}
variable y0 equal 7.4096286090877
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.1577268099741
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.34258509006762
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2225 -2.9871562 -2.6405961 -2.6364564
2226 -2.9871562 -2.6405961 -2.5943055
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.20964491128483
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.4096286090877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.50235789218808
variable y0 equal ${yi}
variable y0 equal 3.73372400565278
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.42922221818829
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.64031273884904
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2226 -2.9871562 -2.6405961 -2.5943055
2227 -2.9871562 -2.6405961 -2.6410756
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.64107558412428
variable naccept equal ${increment}
variable naccept equal 427
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.2036228899023
variable y0 equal ${yi}
variable y0 equal 4.57710585946008
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.105140138056
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.55639567727014
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2227 -2.9871562 -2.6410756 -2.6410756
2228 -2.9871562 -2.6410756 -2.6188203
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.2036228899023
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.57710585946008
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.16288858372719
variable y0 equal ${yi}
variable y0 equal 4.74496568793221
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.24345780331642
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.75250763052865
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2228 -2.9871562 -2.6410756 -2.6188203
2229 -2.9871562 -2.6410756 -2.6211932
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.16288858372719
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.74496568793221
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 6.99553199091598
variable y0 equal ${yi}
variable y0 equal 8.37164120592174
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.00650296488449
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.36708772100505
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2229 -2.9871562 -2.6410756 -2.6211932
2230 -2.9871562 -2.6410756 -2.6396451
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.37164120592174
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.77766234516441
variable y0 equal ${yi}
variable y0 equal 0.927607925641864
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.76744719385444
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 1.02594481300148
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2230 -2.9871562 -2.6410756 -2.6396451
2231 -2.9871562 -2.6410756 -2.6261878
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.927607925641864
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.66362923859236
variable y0 equal ${yi}
variable y0 equal 5.65359488671022
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.72032564161894
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.75145021622377
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2231 -2.9871562 -2.6410756 -2.6261878
2232 -2.9871562 -2.6410756 -2.5735543
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.66362923859236
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.65359488671022
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.10495061277249
variable y0 equal ${yi}
variable y0 equal 4.66507560366557
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.05451768039563
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.66938821429179
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2232 -2.9871562 -2.6410756 -2.5735543
2233 -2.9871562 -2.6410756 -2.6395835
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.10495061277249
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.66507560366557
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72890197554714
variable y0 equal ${yi}
variable y0 equal 1.0604893166903
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.78728452244884
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.0832007367495
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2233 -2.9871562 -2.6410756 -2.6395835
2234 -2.9871562 -2.6410756 -2.6247899
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72890197554714
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.0604893166903
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.56843688645784
variable y0 equal ${yi}
variable y0 equal 5.60343744700151
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.54218665519182
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.53261637633043
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2234 -2.9871562 -2.6410756 -2.6247899
2235 -2.9871562 -2.6410756 -2.6165417
Loop time of 8.39233e-05 on 1 procs for 1 steps with 100 atoms
1191.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.56843688645784
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.60343744700151
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.81639500180369
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.66692263239786
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2235 -2.9871562 -2.6410756 -2.6165417
2236 -2.9871562 -2.6410756 -2.6386172
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.09958864171057
variable y0 equal ${yi}
variable y0 equal 2.75573046180108
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.03172226864844
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.84891916486123
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2236 -2.9871562 -2.6410756 -2.6386172
2237 -2.9871562 -2.6410756 -2.611936
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.09958864171057
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.75573046180108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.525174053111937
variable y0 equal ${yi}
variable y0 equal 0.894475575197066
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.581514568725493
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.965820964086379
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2237 -2.9871562 -2.6410756 -2.611936
2238 -2.9871562 -2.6410756 -2.6300769
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.894475575197066
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.35099447487909
variable y0 equal ${yi}
variable y0 equal 1.92307773015564
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.44059519290048
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 1.90739241025513
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2238 -2.9871562 -2.6410756 -2.6300769
2239 -2.9871562 -2.6410756 -2.6357043
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 33 x ${x0}
set atom 33 x 6.35099447487909
1 settings made for x
set atom $i y ${y0}
set atom 33 y ${y0}
set atom 33 y 1.92307773015564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 74
variable x0 equal ${xi}
variable x0 equal 7.04742242375061
variable y0 equal ${yi}
variable y0 equal 6.46128811375131
set atom $i x ${xnew}
set atom 74 x ${xnew}
set atom 74 x 6.95081213989899
1 settings made for x
set atom $i y ${ynew}
set atom 74 y ${ynew}
set atom 74 y 6.44733249680032
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2239 -2.9871562 -2.6410756 -2.6357043
2240 -2.9871562 -2.6410756 -2.6241654
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 74 x ${x0}
set atom 74 x 7.04742242375061
1 settings made for x
set atom $i y ${y0}
set atom 74 y ${y0}
set atom 74 y 6.46128811375131
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.20556546488
variable y0 equal ${yi}
variable y0 equal 0.955296619642108
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.2960436228771
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.934980066526263
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2240 -2.9871562 -2.6410756 -2.6241654
2241 -2.9871562 -2.6410756 -2.6150569
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.20556546488
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.955296619642108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.99767959712841
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.893401058423847
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2241 -2.9871562 -2.6410756 -2.6150569
2242 -2.9871562 -2.6410756 -2.6359831
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.6009168970563
variable y0 equal ${yi}
variable y0 equal 0.937610264528124
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.60156400084277
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 1.000195189226
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2242 -2.9871562 -2.6410756 -2.6359831
2243 -2.9871562 -2.6410756 -2.6306166
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.6009168970563
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.937610264528124
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31596373716261
variable y0 equal ${yi}
variable y0 equal 1.83819601914949
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.35584142604734
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.74454156539506
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2243 -2.9871562 -2.6410756 -2.6306166
2244 -2.9871562 -2.6410756 -2.6098522
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31596373716261
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.83819601914949
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54984512486879
variable y0 equal ${yi}
variable y0 equal 3.69442252679001
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.51070425668184
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.69789800210129
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2244 -2.9871562 -2.6410756 -2.6098522
2245 -2.9871562 -2.6410756 -2.6354104
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.54984512486879
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.69442252679001
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7447922309093
variable y0 equal ${yi}
variable y0 equal 1.85953156135149
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.6484573085956
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.82453149936266
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2245 -2.9871562 -2.6410756 -2.6354104
2246 -2.9871562 -2.6410756 -2.625782
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 10.7447922309093
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.85953156135149
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.56843688645784
variable y0 equal ${yi}
variable y0 equal 5.60343744700151
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.60829929271165
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.58365793173509
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2246 -2.9871562 -2.6410756 -2.625782
2247 -2.9871562 -2.6410756 -2.6367417
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.56843688645784
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.60343744700151
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72890197554714
variable y0 equal ${yi}
variable y0 equal 1.0604893166903
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.70386859694607
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.14530382941994
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2247 -2.9871562 -2.6410756 -2.6367417
2248 -2.9871562 -2.6410756 -2.6074789
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72890197554714
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.0604893166903
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.74028841732619
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.37644991007114
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2248 -2.9871562 -2.6410756 -2.6074789
2249 -2.9871562 -2.6410756 -2.6389771
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.36383705535795
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0853260159492468
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2249 -2.9871562 -2.6410756 -2.6389771
2250 -2.9871562 -2.6410756 -2.6144278
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.55247208952685
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.69970897787972
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2250 -2.9871562 -2.6410756 -2.6144278
2251 -2.9871562 -2.6410756 -2.6323976
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.51557409285624
variable y0 equal ${yi}
variable y0 equal 3.75448479218613
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.4643855285557
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.79889360232483
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2251 -2.9871562 -2.6410756 -2.6323976
2252 -2.9871562 -2.6410756 -2.6412517
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.64125166841023
variable naccept equal ${increment}
variable naccept equal 428
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.59829139590045
variable y0 equal ${yi}
variable y0 equal 2.77385951253275
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.65743353247424
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.83319823714594
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2252 -2.9871562 -2.6412517 -2.6412517
2253 -2.9871562 -2.6412517 -2.6344778
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.59829139590045
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.77385951253275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.98550258834353
variable y0 equal ${yi}
variable y0 equal 6.47227353588572
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.89260969121447
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.43967743650904
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2253 -2.9871562 -2.6412517 -2.6344778
2254 -2.9871562 -2.6412517 -2.6260826
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.98550258834353
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.47227353588572
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80623258868343
variable y0 equal ${yi}
variable y0 equal 6.50073292986383
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.84129056254512
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.55281087891092
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2254 -2.9871562 -2.6412517 -2.6260826
2255 -2.9871562 -2.6412517 -2.6253133
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.80623258868343
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.50073292986383
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 6.99553199091598
variable y0 equal ${yi}
variable y0 equal 8.37164120592174
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.09351496973678
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.46499019779262
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2255 -2.9871562 -2.6412517 -2.6253133
2256 -2.9871562 -2.6412517 -2.5980626
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.37164120592174
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.59829139590045
variable y0 equal ${yi}
variable y0 equal 2.77385951253275
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.53530735850116
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.80488238307337
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2256 -2.9871562 -2.6412517 -2.5980626
2257 -2.9871562 -2.6412517 -2.6260632
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.59829139590045
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.77385951253275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.13902074734077
variable y0 equal ${yi}
variable y0 equal 9.29444277990191
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.1029408518444
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.37131454456179
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2257 -2.9871562 -2.6412517 -2.6260632
2258 -2.9871562 -2.6412517 -2.6321861
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.13902074734077
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 9.29444277990191
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.00678724327727
variable y0 equal ${yi}
variable y0 equal 4.66030267828866
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 6.96033571043654
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.57169719094201
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2258 -2.9871562 -2.6412517 -2.6321861
2259 -2.9871562 -2.6412517 -2.5889069
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.00678724327727
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.66030267828866
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.20556546488
variable y0 equal ${yi}
variable y0 equal 0.955296619642108
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.1851203922291
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.955667336690753
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2259 -2.9871562 -2.6412517 -2.5889069
2260 -2.9871562 -2.6412517 -2.6426885
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.64268845966206
variable naccept equal ${increment}
variable naccept equal 429
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.92034897763721
variable y0 equal ${yi}
variable y0 equal 2.80042437287667
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.8927123780965
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.81548951836922
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2260 -2.9871562 -2.6426885 -2.6426885
2261 -2.9871562 -2.6426885 -2.6339392
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.92034897763721
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.80042437287667
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7447922309093
variable y0 equal ${yi}
variable y0 equal 1.85953156135149
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.7294097741298
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.88619456670351
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2261 -2.9871562 -2.6426885 -2.6339392
2262 -2.9871562 -2.6426885 -2.6416636
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 10.7447922309093
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.85953156135149
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.28699727455045
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y -0.0275209188461329
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2262 -2.9871562 -2.6426885 -2.6416636
2263 -2.9871562 -2.6426885 -2.6379106
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80623258868343
variable y0 equal ${yi}
variable y0 equal 6.50073292986383
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.85176371852047
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.41572018400659
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2263 -2.9871562 -2.6426885 -2.6379106
2264 -2.9871562 -2.6426885 -2.6333702
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.80623258868343
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.50073292986383
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.45325187602465
variable y0 equal ${yi}
variable y0 equal 1.81180926940507
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.36870536961977
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.86362109563417
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2264 -2.9871562 -2.6426885 -2.6333702
2265 -2.9871562 -2.6426885 -2.5900465
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 37 x ${x0}
set atom 37 x 8.45325187602465
1 settings made for x
set atom $i y ${y0}
set atom 37 y ${y0}
set atom 37 y 1.81180926940507
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.66030511736651
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.60460476035043
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2265 -2.9871562 -2.6426885 -2.5900465
2266 -2.9871562 -2.6426885 -2.6323902
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.480583484569456
variable y0 equal ${yi}
variable y0 equal 8.38369611419733
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.429380102554228
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.43213272012766
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2266 -2.9871562 -2.6426885 -2.6323902
2267 -2.9871562 -2.6426885 -2.6333522
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.480583484569456
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.38369611419733
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.59829139590045
variable y0 equal ${yi}
variable y0 equal 2.77385951253275
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.66071896433612
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.77580393525461
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2267 -2.9871562 -2.6426885 -2.6333522
2268 -2.9871562 -2.6426885 -2.6366772
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.59829139590045
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.77385951253275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.480583484569456
variable y0 equal ${yi}
variable y0 equal 8.38369611419733
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.538078375259306
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.47642007984217
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2268 -2.9871562 -2.6426885 -2.6366772
2269 -2.9871562 -2.6426885 -2.6035773
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.480583484569456
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.38369611419733
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.66362923859236
variable y0 equal ${yi}
variable y0 equal 5.65359488671022
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.60544870375273
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.60880309288698
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2269 -2.9871562 -2.6426885 -2.6035773
2270 -2.9871562 -2.6426885 -2.629957
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.66362923859236
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.65359488671022
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.77766234516441
variable y0 equal ${yi}
variable y0 equal 0.927607925641864
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.86486456035911
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 1.01032383035454
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2270 -2.9871562 -2.6426885 -2.629957
2271 -2.9871562 -2.6426885 -2.6019734
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.927607925641864
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.26565549770261
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y -0.0675253987312342
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2271 -2.9871562 -2.6426885 -2.6019734
2272 -2.9871562 -2.6426885 -2.6204816
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.45467952568741
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.54700359051425
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2272 -2.9871562 -2.6426885 -2.6204816
2273 -2.9871562 -2.6426885 -2.6201268
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.31533217509003
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.51822422688205
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2273 -2.9871562 -2.6426885 -2.6201268
2274 -2.9871562 -2.6426885 -2.6341932
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.09545654971154
variable y0 equal ${yi}
variable y0 equal 8.37382508434351
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.01535943467172
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.3680972448736
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2274 -2.9871562 -2.6426885 -2.6341932
2275 -2.9871562 -2.6426885 -2.6165131
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 98 x ${x0}
set atom 98 x 9.09545654971154
1 settings made for x
set atom $i y ${y0}
set atom 98 y ${y0}
set atom 98 y 8.37382508434351
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 0.0324913382529836
variable y0 equal ${yi}
variable y0 equal 5.50569564049439
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x -0.0266764163971324
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.57652953808503
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2275 -2.9871562 -2.6426885 -2.6165131
2276 -2.9871562 -2.6426885 -2.6354656
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 0.0324913382529836
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.50569564049439
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1949820045492
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.79717249842981
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2276 -2.9871562 -2.6426885 -2.6354656
2277 -2.9871562 -2.6426885 -2.6384679
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1789412740728
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.78276804658273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.20964491128483
variable y0 equal ${yi}
variable y0 equal 7.4096286090877
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.21955398082295
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.40080375995898
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2277 -2.9871562 -2.6426885 -2.6384679
2278 -2.9871562 -2.6426885 -2.6431841
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.64318405115012
variable naccept equal ${increment}
variable naccept equal 430
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.49737423816149
variable y0 equal ${yi}
variable y0 equal 9.2278668593201
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.56200896659319
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.2929022978577
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2278 -2.9871562 -2.6431841 -2.6431841
2279 -2.9871562 -2.6431841 -2.6450092
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.64500919483601
variable naccept equal ${increment}
variable naccept equal 431
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.94641846377841
variable y0 equal ${yi}
variable y0 equal 4.67712874764368
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 6.04491950232974
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.65286417359278
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2279 -2.9871562 -2.6450092 -2.6450092
2280 -2.9871562 -2.6450092 -2.6061872
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.94641846377841
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.67712874764368
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.18523547410527
variable y0 equal ${yi}
variable y0 equal 1.96640520474976
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.26790070294896
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.87084032676285
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2280 -2.9871562 -2.6450092 -2.6061872
2281 -2.9871562 -2.6450092 -2.6064393
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.18523547410527
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.96640520474976
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.49922751902657
variable y0 equal ${yi}
variable y0 equal 5.52039463465411
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.49270002364235
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.51694749539096
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2281 -2.9871562 -2.6450092 -2.6064393
2282 -2.9871562 -2.6450092 -2.6445471
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.64454709192047
variable naccept equal ${increment}
variable naccept equal 432
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.69106418092681
variable y0 equal ${yi}
variable y0 equal 0.920749815214004
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.70520672996474
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 1.01218267272743
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2282 -2.9871562 -2.6445471 -2.6445471
2283 -2.9871562 -2.6445471 -2.6362693
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.69106418092681
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.920749815214004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.94641846377841
variable y0 equal ${yi}
variable y0 equal 4.67712874764368
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.91179985959521
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.6605473672764
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2283 -2.9871562 -2.6445471 -2.6362693
2284 -2.9871562 -2.6445471 -2.6411967
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.94641846377841
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.67712874764368
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.9014171087676
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.39379937566813
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2284 -2.9871562 -2.6445471 -2.6411967
2285 -2.9871562 -2.6445471 -2.6243639
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.42922221818829
variable y0 equal ${yi}
variable y0 equal 3.64031273884904
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.36596104303265
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.57719696326387
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2285 -2.9871562 -2.6445471 -2.6243639
2286 -2.9871562 -2.6445471 -2.5743396
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.42922221818829
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.64031273884904
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.11356125195676
variable y0 equal ${yi}
variable y0 equal 3.71681254668367
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.05011377652341
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.71356597705019
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2286 -2.9871562 -2.6445471 -2.5743396
2287 -2.9871562 -2.6445471 -2.6432544
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.11356125195676
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.71681254668367
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.45546932934839
variable y0 equal ${yi}
variable y0 equal 7.46753717985414
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.4858426523121
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.56322861042283
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2287 -2.9871562 -2.6445471 -2.6432544
2288 -2.9871562 -2.6445471 -2.6092639
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.45546932934839
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.46753717985414
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.16208166519509
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.92145010612077
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2288 -2.9871562 -2.6445471 -2.6092639
2289 -2.9871562 -2.6445471 -2.6390355
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.89040735601722
variable y0 equal ${yi}
variable y0 equal 6.45623155371179
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.89226795076667
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.38869155184259
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2289 -2.9871562 -2.6445471 -2.6390355
2290 -2.9871562 -2.6445471 -2.6295386
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.89040735601722
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.45623155371179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.71316728790235
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.68624610060617
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2290 -2.9871562 -2.6445471 -2.6295386
2291 -2.9871562 -2.6445471 -2.6427901
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.29467339594575
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.36059635010028
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2291 -2.9871562 -2.6445471 -2.6427901
2292 -2.9871562 -2.6445471 -2.6380362
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07343188841992
variable y0 equal ${yi}
variable y0 equal 1.85961672446793
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.08819289525204
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.87450131557053
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2292 -2.9871562 -2.6445471 -2.6380362
2293 -2.9871562 -2.6445471 -2.642668
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.07343188841992
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.85961672446793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.45546932934839
variable y0 equal ${yi}
variable y0 equal 7.46753717985414
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.40300951718408
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.37146181192659
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2293 -2.9871562 -2.6445471 -2.642668
2294 -2.9871562 -2.6445471 -2.6352622
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.45546932934839
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.46753717985414
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.45546932934839
variable y0 equal ${yi}
variable y0 equal 7.46753717985414
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.44710795401651
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.41837643709443
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2294 -2.9871562 -2.6445471 -2.6352622
2295 -2.9871562 -2.6445471 -2.6462257
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.64622568175787
variable naccept equal ${increment}
variable naccept equal 433
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.4429693770321
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y -0.0132392525672877
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2295 -2.9871562 -2.6462257 -2.6462257
2296 -2.9871562 -2.6462257 -2.6430755
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.14977384566822
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.66356789631975
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2296 -2.9871562 -2.6462257 -2.6430755
2297 -2.9871562 -2.6462257 -2.5988474
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.69106418092681
variable y0 equal ${yi}
variable y0 equal 0.920749815214004
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.71990250547362
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 1.01698329042229
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2297 -2.9871562 -2.6462257 -2.5988474
2298 -2.9871562 -2.6462257 -2.6354486
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.69106418092681
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.920749815214004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.94641846377841
variable y0 equal ${yi}
variable y0 equal 4.67712874764368
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.91362614591113
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.75788418406412
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2298 -2.9871562 -2.6462257 -2.6354486
2299 -2.9871562 -2.6462257 -2.5972976
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.94641846377841
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.67712874764368
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.65179307659102
variable y0 equal ${yi}
variable y0 equal 2.85066882344583
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.6111364503665
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.81444189521173
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2299 -2.9871562 -2.6462257 -2.5972976
2300 -2.9871562 -2.6462257 -2.6400058
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.65179307659102
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.85066882344583
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.31109680016251
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.32593559351229
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2300 -2.9871562 -2.6462257 -2.6400058
2301 -2.9871562 -2.6462257 -2.6294681
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.24231749851914
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.84011848352022
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2301 -2.9871562 -2.6462257 -2.6294681
2302 -2.9871562 -2.6462257 -2.6138171
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.88060106316253
variable y0 equal ${yi}
variable y0 equal 0.960105260122139
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.78229731598541
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 1.00628933500083
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2302 -2.9871562 -2.6462257 -2.6138171
2303 -2.9871562 -2.6462257 -2.6112613
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.88060106316253
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.960105260122139
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.32301615555497
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.59390474503238
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2303 -2.9871562 -2.6462257 -2.6112613
2304 -2.9871562 -2.6462257 -2.6373713
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.525174053111937
variable y0 equal ${yi}
variable y0 equal 0.894475575197066
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.54734552661505
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.812884886968459
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2304 -2.9871562 -2.6462257 -2.6373713
2305 -2.9871562 -2.6462257 -2.6288119
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.894475575197066
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.24272296507568
variable y0 equal ${yi}
variable y0 equal 0.0256201386451842
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.25739760477752
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 0.0785661339759947
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2305 -2.9871562 -2.6462257 -2.6288119
2306 -2.9871562 -2.6462257 -2.6390722
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.24272296507568
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.0256201386451842
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.00678724327727
variable y0 equal ${yi}
variable y0 equal 4.66030267828866
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.06153705397292
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.60557631606027
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2306 -2.9871562 -2.6462257 -2.6390722
2307 -2.9871562 -2.6462257 -2.6332779
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.00678724327727
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.66030267828866
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.29946220000001
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.94335071227617
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2307 -2.9871562 -2.6462257 -2.6332779
2308 -2.9871562 -2.6462257 -2.6451738
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7447922309093
variable y0 equal ${yi}
variable y0 equal 1.85953156135149
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.8242043574504
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.87989725253649
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2308 -2.9871562 -2.6462257 -2.6451738
2309 -2.9871562 -2.6462257 -2.6293549
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 10.7447922309093
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.85953156135149
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1789412740728
variable y0 equal ${yi}
variable y0 equal 2.78276804658273
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1636192683241
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.70693036290506
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2309 -2.9871562 -2.6462257 -2.6293549
2310 -2.9871562 -2.6462257 -2.6460169
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.64601691110067
variable naccept equal ${increment}
variable naccept equal 434
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.25235247373144
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y -0.0323669195175075
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2310 -2.9871562 -2.6460169 -2.6460169
2311 -2.9871562 -2.6460169 -2.6411638
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.67578153490801
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.32772495664653
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2311 -2.9871562 -2.6460169 -2.6411638
2312 -2.9871562 -2.6460169 -2.63842
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.1481280064539
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.65371760888231
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2312 -2.9871562 -2.6460169 -2.63842
2313 -2.9871562 -2.6460169 -2.5920899
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.24272296507568
variable y0 equal ${yi}
variable y0 equal 0.0256201386451842
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.27178276856155
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 0.00600513219834582
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2313 -2.9871562 -2.6460169 -2.5920899
2314 -2.9871562 -2.6460169 -2.646375
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.6463750258467
variable naccept equal ${increment}
variable naccept equal 435
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.85395387927179
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.63480998629496
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2314 -2.9871562 -2.646375 -2.646375
2315 -2.9871562 -2.646375 -2.6457898
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.89040735601722
variable y0 equal ${yi}
variable y0 equal 6.45623155371179
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.97525910972892
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.40792730585565
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2315 -2.9871562 -2.646375 -2.6457898
2316 -2.9871562 -2.646375 -2.6210654
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.89040735601722
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.45623155371179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7447922309093
variable y0 equal ${yi}
variable y0 equal 1.85953156135149
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.7257410605602
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.94946087977953
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2316 -2.9871562 -2.646375 -2.6210654
2317 -2.9871562 -2.646375 -2.6107453
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 10.7447922309093
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.85953156135149
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.57771970509168
variable y0 equal ${yi}
variable y0 equal 0.0528771042823788
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.66068799971219
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.126740944385528
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2317 -2.9871562 -2.646375 -2.6107453
2318 -2.9871562 -2.646375 -2.6063699
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.57771970509168
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0528771042823788
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 8.0340755283723
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.883622177350849
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2318 -2.9871562 -2.646375 -2.6063699
2319 -2.9871562 -2.646375 -2.6234897
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.77766234516441
variable y0 equal ${yi}
variable y0 equal 0.927607925641864
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.84927204489052
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.840897198427051
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2319 -2.9871562 -2.646375 -2.6234897
2320 -2.9871562 -2.646375 -2.6082465
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.927607925641864
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.11815181096249
variable y0 equal ${yi}
variable y0 equal 7.44427507248187
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.12605889161282
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.46482060280108
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2320 -2.9871562 -2.646375 -2.6082465
2321 -2.9871562 -2.646375 -2.6453379
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.64533786048785
variable naccept equal ${increment}
variable naccept equal 436
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.10495061277249
variable y0 equal ${yi}
variable y0 equal 4.66507560366557
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.08223971723416
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.64394115561412
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2321 -2.9871562 -2.6453379 -2.6453379
2322 -2.9871562 -2.6453379 -2.6451688
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.10495061277249
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.66507560366557
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87285548408023
variable y0 equal ${yi}
variable y0 equal 8.36937119878825
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.94223107058993
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.27615040458735
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2322 -2.9871562 -2.6453379 -2.6451688
2323 -2.9871562 -2.6453379 -2.6317217
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.36937119878825
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.71673676291591
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.84104822846749
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2323 -2.9871562 -2.6453379 -2.6317217
2324 -2.9871562 -2.6453379 -2.6421499
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2494.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.85977786752084
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.46753388483297
variable y0 equal ${yi}
variable y0 equal 0.0335806965827942
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.5055693610407
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.0092600703239441
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2324 -2.9871562 -2.6453379 -2.6421499
2325 -2.9871562 -2.6453379 -2.6459857
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.64598565402484
variable naccept equal ${increment}
variable naccept equal 437
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.18122052589761
variable y0 equal ${yi}
variable y0 equal 7.43532284822726
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.26357651392328
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.39450930681491
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2325 -2.9871562 -2.6459857 -2.6459857
2326 -2.9871562 -2.6459857 -2.6185435
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.18122052589761
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.43532284822726
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80623258868343
variable y0 equal ${yi}
variable y0 equal 6.50073292986383
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.82276965895778
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.59066712395181
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2326 -2.9871562 -2.6459857 -2.6185435
2327 -2.9871562 -2.6459857 -2.6113951
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.80623258868343
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.50073292986383
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.63685454010744
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.30789927162227
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2327 -2.9871562 -2.6459857 -2.6113951
2328 -2.9871562 -2.6459857 -2.6340271
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.6009168970563
variable y0 equal ${yi}
variable y0 equal 0.937610264528124
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.67506554007312
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 1.03333513330254
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2328 -2.9871562 -2.6459857 -2.6340271
2329 -2.9871562 -2.6459857 -2.6139605
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2496.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.6009168970563
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.937610264528124
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.30972831010381
variable y0 equal ${yi}
variable y0 equal 5.57299091761308
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.23763067483464
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.49112038557725
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2329 -2.9871562 -2.6459857 -2.6139605
2330 -2.9871562 -2.6459857 -2.6110838
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.30972831010381
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.57299091761308
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.74727117021515
variable y0 equal ${yi}
variable y0 equal 6.50648560062877
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.81157753665878
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.42607045904628
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2330 -2.9871562 -2.6459857 -2.6110838
2331 -2.9871562 -2.6459857 -2.6280842
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.74727117021515
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.50648560062877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.13902074734077
variable y0 equal ${yi}
variable y0 equal 9.29444277990191
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.11897705236778
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.30723684537737
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2331 -2.9871562 -2.6459857 -2.6280842
2332 -2.9871562 -2.6459857 -2.6458603
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.13902074734077
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 9.29444277990191
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.09958864171057
variable y0 equal ${yi}
variable y0 equal 2.75573046180108
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.11180581767111
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.79390442344048
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2332 -2.9871562 -2.6459857 -2.6458603
2333 -2.9871562 -2.6459857 -2.6397378
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.09958864171057
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.75573046180108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.74045794526224
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.59971120709345
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2333 -2.9871562 -2.6459857 -2.6397378
2334 -2.9871562 -2.6459857 -2.6307257
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2496.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.34823718467619
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0456460475921606
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2334 -2.9871562 -2.6459857 -2.6307257
2335 -2.9871562 -2.6459857 -2.640406
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.79485161820536
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.69041586274073
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2335 -2.9871562 -2.6459857 -2.640406
2336 -2.9871562 -2.6459857 -2.6365185
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87285548408023
variable y0 equal ${yi}
variable y0 equal 8.36937119878825
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.79946060140124
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.34389196552333
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2336 -2.9871562 -2.6459857 -2.6365185
2337 -2.9871562 -2.6459857 -2.6276396
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.36937119878825
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.2036228899023
variable y0 equal ${yi}
variable y0 equal 4.57710585946008
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.1311788682005
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.53851076716348
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2337 -2.9871562 -2.6459857 -2.6276396
2338 -2.9871562 -2.6459857 -2.6325435
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.2036228899023
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.57710585946008
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.5878455599004
variable y0 equal ${yi}
variable y0 equal 9.28117802846759
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.543560357874
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.31060505616992
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2338 -2.9871562 -2.6459857 -2.6325435
2339 -2.9871562 -2.6459857 -2.6268203
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.5878455599004
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.28117802846759
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.480583484569456
variable y0 equal ${yi}
variable y0 equal 8.38369611419733
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.400733275810148
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.30642465271051
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2339 -2.9871562 -2.6459857 -2.6268203
2340 -2.9871562 -2.6459857 -2.6284709
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.480583484569456
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.38369611419733
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 1.02897904236965
variable y0 equal ${yi}
variable y0 equal 9.27259716499179
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 1.12366812546902
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.22856564033359
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2340 -2.9871562 -2.6459857 -2.6284709
2341 -2.9871562 -2.6459857 -2.6311643
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 3 x ${x0}
set atom 3 x 1.02897904236965
1 settings made for x
set atom $i y ${y0}
set atom 3 y ${y0}
set atom 3 y 9.27259716499179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.37311956961365
variable y0 equal ${yi}
variable y0 equal 3.73546738190782
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.39672677595825
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.7317367987169
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2341 -2.9871562 -2.6459857 -2.6311643
2342 -2.9871562 -2.6459857 -2.6378138
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.37311956961365
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.73546738190782
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.12605889161282
variable y0 equal ${yi}
variable y0 equal 7.46482060280108
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.18686254342251
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.51649128523135
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2342 -2.9871562 -2.6459857 -2.6378138
2343 -2.9871562 -2.6459857 -2.6197462
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.12605889161282
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.46482060280108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.84254707057468
variable y0 equal ${yi}
variable y0 equal 0.912364717233509
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.91852093894474
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.967858119714588
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2343 -2.9871562 -2.6459857 -2.6197462
2344 -2.9871562 -2.6459857 -2.6276471
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.84254707057468
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.912364717233509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.86987643757944
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.66939618939325
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2344 -2.9871562 -2.6459857 -2.6276471
2345 -2.9871562 -2.6459857 -2.6392392
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.98599239308387
variable y0 equal ${yi}
variable y0 equal 0.925951715219346
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 9.04030754286796
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.862876291978684
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2345 -2.9871562 -2.6459857 -2.6392392
2346 -2.9871562 -2.6459857 -2.6325222
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.98599239308387
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.925951715219346
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.64154032667112
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.62388319128915
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2346 -2.9871562 -2.6459857 -2.6325222
2347 -2.9871562 -2.6459857 -2.6257975
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.78497772415113
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.6973466908352
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2347 -2.9871562 -2.6459857 -2.6257975
2348 -2.9871562 -2.6459857 -2.6392583
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.27658920684721
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y -0.0125264883041407
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2348 -2.9871562 -2.6459857 -2.6392583
2349 -2.9871562 -2.6459857 -2.6385229
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.49270002364235
variable y0 equal ${yi}
variable y0 equal 5.51694749539096
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.58564282178002
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.48841923420627
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2349 -2.9871562 -2.6459857 -2.6385229
2350 -2.9871562 -2.6459857 -2.5860678
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.49270002364235
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.51694749539096
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.94641846377841
variable y0 equal ${yi}
variable y0 equal 4.67712874764368
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.90156124789706
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.71057166212961
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2350 -2.9871562 -2.6459857 -2.5860678
2351 -2.9871562 -2.6459857 -2.62665
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.94641846377841
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.67712874764368
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 0.0324913382529836
variable y0 equal ${yi}
variable y0 equal 5.50569564049439
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 0.129562687873803
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.471328591754
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2351 -2.9871562 -2.6459857 -2.62665
2352 -2.9871562 -2.6459857 -2.60492
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 0.0324913382529836
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.50569564049439
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.42990400313454
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 0.0225976943969762
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2352 -2.9871562 -2.6459857 -2.60492
2353 -2.9871562 -2.6459857 -2.6440204
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54984512486879
variable y0 equal ${yi}
variable y0 equal 3.69442252679001
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.52802442470018
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.74067889018189
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2353 -2.9871562 -2.6459857 -2.6440204
2354 -2.9871562 -2.6459857 -2.6403145
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.54984512486879
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.69442252679001
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.89040735601722
variable y0 equal ${yi}
variable y0 equal 6.45623155371179
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.97621845840751
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.35665388838281
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2354 -2.9871562 -2.6459857 -2.6403145
2355 -2.9871562 -2.6459857 -2.5865288
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.89040735601722
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.45623155371179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1636192683241
variable y0 equal ${yi}
variable y0 equal 2.70693036290506
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.0923145178816
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.74455177756647
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2355 -2.9871562 -2.6459857 -2.5865288
2356 -2.9871562 -2.6459857 -2.6383978
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1636192683241
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.70693036290506
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.43167500018197
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y -0.0818755507469141
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2356 -2.9871562 -2.6459857 -2.6383978
2357 -2.9871562 -2.6459857 -2.6371245
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.74727117021515
variable y0 equal ${yi}
variable y0 equal 6.50648560062877
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.8387743135257
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.57902196184627
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2357 -2.9871562 -2.6459857 -2.6371245
2358 -2.9871562 -2.6459857 -2.5699955
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.74727117021515
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.50648560062877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.74727117021515
variable y0 equal ${yi}
variable y0 equal 6.50648560062877
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.77271260221436
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.58536288277141
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2358 -2.9871562 -2.6459857 -2.5699955
2359 -2.9871562 -2.6459857 -2.6074044
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.74727117021515
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.50648560062877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.44736310957986
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 0.0558234930038488
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2359 -2.9871562 -2.6459857 -2.6074044
2360 -2.9871562 -2.6459857 -2.6358228
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.81079958001263
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.88561848374704
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2360 -2.9871562 -2.6459857 -2.6358228
2361 -2.9871562 -2.6459857 -2.6437668
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.85977786752084
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.71944220541595
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.42350621547962
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2361 -2.9871562 -2.6459857 -2.6437668
2362 -2.9871562 -2.6459857 -2.6406981
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.56843688645784
variable y0 equal ${yi}
variable y0 equal 5.60343744700151
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.59574365773622
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.53088903372484
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2362 -2.9871562 -2.6459857 -2.6406981
2363 -2.9871562 -2.6459857 -2.6226863
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.56843688645784
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.60343744700151
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.18523547410527
variable y0 equal ${yi}
variable y0 equal 1.96640520474976
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.2013416862444
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.98039417645997
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2363 -2.9871562 -2.6459857 -2.6226863
2364 -2.9871562 -2.6459857 -2.6465136
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.64651364960974
variable naccept equal ${increment}
variable naccept equal 438
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.95269535421668
variable y0 equal ${yi}
variable y0 equal 4.50253551358148
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.9954027616912
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.57779587859079
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2364 -2.9871562 -2.6465136 -2.6465136
2365 -2.9871562 -2.6465136 -2.6573687
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.65736872863748
variable naccept equal ${increment}
variable naccept equal 439
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.56843688645784
variable y0 equal ${yi}
variable y0 equal 5.60343744700151
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.4880973950905
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.61973017399507
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2365 -2.9871562 -2.6573687 -2.6573687
2366 -2.9871562 -2.6573687 -2.6362029
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.56843688645784
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.60343744700151
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.44710795401651
variable y0 equal ${yi}
variable y0 equal 7.41837643709443
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.41459513424951
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.45672734108232
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2366 -2.9871562 -2.6573687 -2.6362029
2367 -2.9871562 -2.6573687 -2.656008
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.44710795401651
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.41837643709443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.2013416862444
variable y0 equal ${yi}
variable y0 equal 1.98039417645997
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.18287575006047
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 2.07858885905808
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2367 -2.9871562 -2.6573687 -2.656008
2368 -2.9871562 -2.6573687 -2.6168983
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.2013416862444
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.98039417645997
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.20137036799948
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y -0.00622136592864035
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2368 -2.9871562 -2.6573687 -2.6168983
2369 -2.9871562 -2.6573687 -2.6565642
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72890197554714
variable y0 equal ${yi}
variable y0 equal 1.0604893166903
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.6671127251733
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.12907954047952
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2369 -2.9871562 -2.6573687 -2.6565642
2370 -2.9871562 -2.6573687 -2.6274743
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72890197554714
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.0604893166903
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.29028950968
variable y0 equal ${yi}
variable y0 equal 6.46599212423793
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.2889763001463
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.52189012304774
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2370 -2.9871562 -2.6573687 -2.6274743
2371 -2.9871562 -2.6573687 -2.650477
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.29028950968
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.46599212423793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.11976422666408
variable y0 equal ${yi}
variable y0 equal 6.57524594799509
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.20573648809291
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.60633873478403
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2371 -2.9871562 -2.6573687 -2.650477
2372 -2.9871562 -2.6573687 -2.5853967
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.11976422666408
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.57524594799509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.01815503238536
variable y0 equal ${yi}
variable y0 equal 2.72729808064798
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.05603994726039
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.70463098260263
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2372 -2.9871562 -2.6573687 -2.5853967
2373 -2.9871562 -2.6573687 -2.6480884
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.01815503238536
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.72729808064798
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.37311956961365
variable y0 equal ${yi}
variable y0 equal 3.73546738190782
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.3011417873642
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.82676342291963
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2373 -2.9871562 -2.6573687 -2.6480884
2374 -2.9871562 -2.6573687 -2.6343512
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.37311956961365
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.73546738190782
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.57771970509168
variable y0 equal ${yi}
variable y0 equal 0.0528771042823788
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.6282262730467
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.107169592380523
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2374 -2.9871562 -2.6573687 -2.6343512
2375 -2.9871562 -2.6573687 -2.6414382
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.57771970509168
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0528771042823788
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.56200896659319
variable y0 equal ${yi}
variable y0 equal 9.2929022978577
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.5712285534424
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.33846748578876
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2375 -2.9871562 -2.6573687 -2.6414382
2376 -2.9871562 -2.6573687 -2.6476031
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.56200896659319
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.2929022978577
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.69106418092681
variable y0 equal ${yi}
variable y0 equal 0.920749815214004
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.6376605768962
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.944219728219833
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2376 -2.9871562 -2.6573687 -2.6476031
2377 -2.9871562 -2.6573687 -2.655172
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.69106418092681
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.920749815214004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.9954027616912
variable y0 equal ${yi}
variable y0 equal 4.57779587859079
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.95790398954688
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.55875416153833
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2377 -2.9871562 -2.6573687 -2.655172
2378 -2.9871562 -2.6573687 -2.6690997
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.66909970878309
variable naccept equal ${increment}
variable naccept equal 440
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.11356125195676
variable y0 equal ${yi}
variable y0 equal 3.71681254668367
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.06372391303235
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.72807768149507
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2378 -2.9871562 -2.6690997 -2.6690997
2379 -2.9871562 -2.6690997 -2.6681214
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.11356125195676
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.71681254668367
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.15111996570931
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.81003410382402
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2379 -2.9871562 -2.6690997 -2.6681214
2380 -2.9871562 -2.6690997 -2.6683754
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.77766234516441
variable y0 equal ${yi}
variable y0 equal 0.927607925641864
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.67853731750786
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.947497435319751
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2380 -2.9871562 -2.6690997 -2.6683754
2381 -2.9871562 -2.6690997 -2.6449632
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.927607925641864
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.44710795401651
variable y0 equal ${yi}
variable y0 equal 7.41837643709443
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.41071300028879
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.4550809296634
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2381 -2.9871562 -2.6690997 -2.6449632
2382 -2.9871562 -2.6690997 -2.6674361
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.44710795401651
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.41837643709443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.49235073724654
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.56695841496187
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2382 -2.9871562 -2.6690997 -2.6674361
2383 -2.9871562 -2.6690997 -2.6567097
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.98550258834353
variable y0 equal ${yi}
variable y0 equal 6.47227353588572
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 6.05801051814547
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.4674696399354
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2383 -2.9871562 -2.6690997 -2.6567097
2384 -2.9871562 -2.6690997 -2.6529987
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.98550258834353
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.47227353588572
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.69106418092681
variable y0 equal ${yi}
variable y0 equal 0.920749815214004
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.62602374751998
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.876110966909255
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2384 -2.9871562 -2.6690997 -2.6529987
2385 -2.9871562 -2.6690997 -2.6590791
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.69106418092681
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.920749815214004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.88060106316253
variable y0 equal ${yi}
variable y0 equal 0.960105260122139
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.92987251558944
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.965486224401314
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2385 -2.9871562 -2.6690997 -2.6590791
2386 -2.9871562 -2.6690997 -2.664864
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.88060106316253
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.960105260122139
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.3978435405037
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.42443825330996
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2386 -2.9871562 -2.6690997 -2.664864
2387 -2.9871562 -2.6690997 -2.6522893
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.57288145302412
variable y0 equal ${yi}
variable y0 equal 3.68945432467593
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.62788166283247
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.76814270777835
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2387 -2.9871562 -2.6690997 -2.6522893
2388 -2.9871562 -2.6690997 -2.6633005
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.57288145302412
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.68945432467593
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.49270002364235
variable y0 equal ${yi}
variable y0 equal 5.51694749539096
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.57229405163841
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.50351933186252
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2388 -2.9871562 -2.6690997 -2.6633005
2389 -2.9871562 -2.6690997 -2.6312089
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.49270002364235
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.51694749539096
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.525174053111937
variable y0 equal ${yi}
variable y0 equal 0.894475575197066
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.462958796420958
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.821414681184615
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2389 -2.9871562 -2.6690997 -2.6312089
2390 -2.9871562 -2.6690997 -2.6595495
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.894475575197066
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.1851203922291
variable y0 equal ${yi}
variable y0 equal 0.955667336690753
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.2833203677197
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.968818529355853
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2390 -2.9871562 -2.6690997 -2.6595495
2391 -2.9871562 -2.6690997 -2.6477464
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.1851203922291
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.955667336690753
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.83408757646513
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.72791191691323
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2391 -2.9871562 -2.6690997 -2.6477464
2392 -2.9871562 -2.6690997 -2.6367534
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.654104717174436
variable y0 equal ${yi}
variable y0 equal 6.49111358658304
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.574255783954526
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.40221397415628
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2392 -2.9871562 -2.6690997 -2.6367534
2393 -2.9871562 -2.6690997 -2.6553748
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.654104717174436
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.49111358658304
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.32150743960896
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.70044717354906
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2393 -2.9871562 -2.6690997 -2.6553748
2394 -2.9871562 -2.6690997 -2.6561567
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.18122052589761
variable y0 equal ${yi}
variable y0 equal 7.43532284822726
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.23746758142816
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.48196691599154
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2394 -2.9871562 -2.6690997 -2.6561567
2395 -2.9871562 -2.6690997 -2.6534504
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.18122052589761
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.43532284822726
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1636192683241
variable y0 equal ${yi}
variable y0 equal 2.70693036290506
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1097630504629
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.73196680518488
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2395 -2.9871562 -2.6690997 -2.6534504
2396 -2.9871562 -2.6690997 -2.6658108
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1636192683241
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.70693036290506
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.42922221818829
variable y0 equal ${yi}
variable y0 equal 3.64031273884904
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.37591991821194
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.72536636157167
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2396 -2.9871562 -2.6690997 -2.6658108
2397 -2.9871562 -2.6690997 -2.6528619
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.42922221818829
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.64031273884904
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.52396155435811
variable y0 equal ${yi}
variable y0 equal 3.76348131461275
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.58161339599858
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.78095641894472
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2397 -2.9871562 -2.6690997 -2.6528619
2398 -2.9871562 -2.6690997 -2.6551653
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.52396155435811
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.76348131461275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.2036228899023
variable y0 equal ${yi}
variable y0 equal 4.57710585946008
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.1047366384527
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.54019505137369
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2398 -2.9871562 -2.6690997 -2.6551653
2399 -2.9871562 -2.6690997 -2.6443875
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.2036228899023
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.57710585946008
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.27178276856155
variable y0 equal ${yi}
variable y0 equal 0.00600513219834582
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.18710436899871
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y -0.0675657153129457
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2399 -2.9871562 -2.6690997 -2.6443875
2400 -2.9871562 -2.6690997 -2.646351
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.27178276856155
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.00600513219834582
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.71264111001922
variable y0 equal ${yi}
variable y0 equal 8.37165092147884
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.68428162534667
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.41572124876079
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2400 -2.9871562 -2.6690997 -2.646351
2401 -2.9871562 -2.6690997 -2.6644108
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.71264111001922
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.37165092147884
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54984512486879
variable y0 equal ${yi}
variable y0 equal 3.69442252679001
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.51606408515398
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.63436256213318
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2401 -2.9871562 -2.6690997 -2.6644108
2402 -2.9871562 -2.6690997 -2.662009
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.54984512486879
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.69442252679001
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.29028950968
variable y0 equal ${yi}
variable y0 equal 6.46599212423793
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.2989817146322
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.54317707554332
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2402 -2.9871562 -2.6690997 -2.662009
2403 -2.9871562 -2.6690997 -2.6532752
Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms
2511.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.29028950968
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.46599212423793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.52396155435811
variable y0 equal ${yi}
variable y0 equal 3.76348131461275
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.59115655262242
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.72282788319719
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2403 -2.9871562 -2.6690997 -2.6532752
2404 -2.9871562 -2.6690997 -2.6543774
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.52396155435811
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.76348131461275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.42922221818829
variable y0 equal ${yi}
variable y0 equal 3.64031273884904
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.3681806007948
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.70773236317765
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2404 -2.9871562 -2.6690997 -2.6543774
2405 -2.9871562 -2.6690997 -2.6567295
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.42922221818829
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.64031273884904
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.87888618031628
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.84395996304849
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2405 -2.9871562 -2.6690997 -2.6567295
2406 -2.9871562 -2.6690997 -2.6519212
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.85977786752084
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.6009168970563
variable y0 equal ${yi}
variable y0 equal 0.937610264528124
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.57476761221667
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.954603274572222
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2406 -2.9871562 -2.6690997 -2.6519212
2407 -2.9871562 -2.6690997 -2.6658578
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.6009168970563
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.937610264528124
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.00678724327727
variable y0 equal ${yi}
variable y0 equal 4.66030267828866
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.05109598913832
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.62569097632333
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2407 -2.9871562 -2.6690997 -2.6658578
2408 -2.9871562 -2.6690997 -2.6659636
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.00678724327727
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.66030267828866
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.24462784607621
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.32568568315768
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2408 -2.9871562 -2.6690997 -2.6659636
2409 -2.9871562 -2.6690997 -2.6318143
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.18122052589761
variable y0 equal ${yi}
variable y0 equal 7.43532284822726
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.14120897690164
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.45655035105014
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2409 -2.9871562 -2.6690997 -2.6318143
2410 -2.9871562 -2.6690997 -2.6652599
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.18122052589761
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.43532284822726
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.09545654971154
variable y0 equal ${yi}
variable y0 equal 8.37382508434351
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.12435003239663
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.34361114419992
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2410 -2.9871562 -2.6690997 -2.6652599
2411 -2.9871562 -2.6690997 -2.6675062
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 98 x ${x0}
set atom 98 x 9.09545654971154
1 settings made for x
set atom $i y ${y0}
set atom 98 y ${y0}
set atom 98 y 8.37382508434351
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.41105691034568
variable y0 equal ${yi}
variable y0 equal 1.86285059831208
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.39585532982124
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.91880389831132
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2411 -2.9871562 -2.6690997 -2.6675062
2412 -2.9871562 -2.6690997 -2.6605304
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 35 x ${x0}
set atom 35 x 7.41105691034568
1 settings made for x
set atom $i y ${y0}
set atom 35 y ${y0}
set atom 35 y 1.86285059831208
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.89040735601722
variable y0 equal ${yi}
variable y0 equal 6.45623155371179
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.8763818585807
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.43000182644357
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2412 -2.9871562 -2.6690997 -2.6605304
2413 -2.9871562 -2.6690997 -2.6661842
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.89040735601722
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.45623155371179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 0.0324913382529836
variable y0 equal ${yi}
variable y0 equal 5.50569564049439
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 0.0873793363570791
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.5794189924498
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2413 -2.9871562 -2.6690997 -2.6661842
2414 -2.9871562 -2.6690997 -2.6615057
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 0.0324913382529836
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.50569564049439
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.4643855285557
variable y0 equal ${yi}
variable y0 equal 3.79889360232483
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.36869368075449
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.88635060353409
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2414 -2.9871562 -2.6690997 -2.6615057
2415 -2.9871562 -2.6690997 -2.5746572
Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.4643855285557
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.79889360232483
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.42922221818829
variable y0 equal ${yi}
variable y0 equal 3.64031273884904
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.45191831985379
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.61818509860169
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2415 -2.9871562 -2.6690997 -2.5746572
2416 -2.9871562 -2.6690997 -2.6532307
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.42922221818829
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.64031273884904
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.14295520225869
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.86383654637467
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2416 -2.9871562 -2.6690997 -2.6532307
2417 -2.9871562 -2.6690997 -2.6530466
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07343188841992
variable y0 equal ${yi}
variable y0 equal 1.85961672446793
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.16478169282132
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.83499623916214
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2417 -2.9871562 -2.6690997 -2.6530466
2418 -2.9871562 -2.6690997 -2.6520502
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.07343188841992
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.85961672446793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.18122052589761
variable y0 equal ${yi}
variable y0 equal 7.43532284822726
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.08701726833688
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.4857302459743
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2418 -2.9871562 -2.6690997 -2.6520502
2419 -2.9871562 -2.6690997 -2.6400584
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.18122052589761
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.43532284822726
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.01815503238536
variable y0 equal ${yi}
variable y0 equal 2.72729808064798
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 7.92535349725581
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.67668384286264
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2419 -2.9871562 -2.6690997 -2.6400584
2420 -2.9871562 -2.6690997 -2.6225211
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.01815503238536
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.72729808064798
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.2036228899023
variable y0 equal ${yi}
variable y0 equal 4.57710585946008
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.228128111746
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.49085599535867
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2420 -2.9871562 -2.6690997 -2.6225211
2421 -2.9871562 -2.6690997 -2.6427641
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.2036228899023
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.57710585946008
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68984863638659
variable y0 equal ${yi}
variable y0 equal 6.46641751066677
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.70608236670275
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.38719476000301
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2421 -2.9871562 -2.6690997 -2.6427641
2422 -2.9871562 -2.6690997 -2.6483513
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68984863638659
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46641751066677
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.77766234516441
variable y0 equal ${yi}
variable y0 equal 0.927607925641864
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.78433811306297
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 1.00741346668038
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2422 -2.9871562 -2.6690997 -2.6483513
2423 -2.9871562 -2.6690997 -2.6590725
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.927607925641864
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.71056198954363
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.31191067613658
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2423 -2.9871562 -2.6690997 -2.6590725
2424 -2.9871562 -2.6690997 -2.6487104
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.64166227459689
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.40684249319133
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2424 -2.9871562 -2.6690997 -2.6487104
2425 -2.9871562 -2.6690997 -2.6665549
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.57288145302412
variable y0 equal ${yi}
variable y0 equal 3.68945432467593
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.52753470419523
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.74228307767047
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2425 -2.9871562 -2.6690997 -2.6665549
2426 -2.9871562 -2.6690997 -2.6567992
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.57288145302412
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.68945432467593
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.09958864171057
variable y0 equal ${yi}
variable y0 equal 2.75573046180108
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.14239051062613
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.80157202454903
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2426 -2.9871562 -2.6690997 -2.6567992
2427 -2.9871562 -2.6690997 -2.6545743
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.09958864171057
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.75573046180108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.45325187602465
variable y0 equal ${yi}
variable y0 equal 1.81180926940507
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.50780906835024
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.87973840615815
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2427 -2.9871562 -2.6690997 -2.6545743
2428 -2.9871562 -2.6690997 -2.6729801
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.67298006464133
variable naccept equal ${increment}
variable naccept equal 441
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.52396155435811
variable y0 equal ${yi}
variable y0 equal 3.76348131461275
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.6178116782404
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.72792121930254
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2428 -2.9871562 -2.6729801 -2.6729801
2429 -2.9871562 -2.6729801 -2.640504
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.52396155435811
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.76348131461275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.27178276856155
variable y0 equal ${yi}
variable y0 equal 0.00600513219834582
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.3109632023117
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 0.0800031304359557
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2429 -2.9871562 -2.6729801 -2.640504
2430 -2.9871562 -2.6729801 -2.6518772
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.27178276856155
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.00600513219834582
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.30029886722126
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.63569141192567
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2430 -2.9871562 -2.6729801 -2.6518772
2431 -2.9871562 -2.6729801 -2.6322507
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.74727117021515
variable y0 equal ${yi}
variable y0 equal 6.50648560062877
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.67225971420242
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.52231688038341
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2431 -2.9871562 -2.6729801 -2.6322507
2432 -2.9871562 -2.6729801 -2.6611896
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.74727117021515
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.50648560062877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87285548408023
variable y0 equal ${yi}
variable y0 equal 8.36937119878825
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.90365315635196
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.41949571289119
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2432 -2.9871562 -2.6729801 -2.6611896
2433 -2.9871562 -2.6729801 -2.6685407
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.36937119878825
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.43548999547082
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 0.0614332914352453
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2433 -2.9871562 -2.6729801 -2.6685407
2434 -2.9871562 -2.6729801 -2.6623911
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.21101167280885
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 2.02581204555101
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2434 -2.9871562 -2.6729801 -2.6623911
2435 -2.9871562 -2.6729801 -2.6227442
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.75844916939077
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.31827254213389
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2435 -2.9871562 -2.6729801 -2.6227442
2436 -2.9871562 -2.6729801 -2.6593175
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.6009168970563
variable y0 equal ${yi}
variable y0 equal 0.937610264528124
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.6808315741994
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.98436072658333
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2436 -2.9871562 -2.6729801 -2.6593175
2437 -2.9871562 -2.6729801 -2.657141
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.6009168970563
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.937610264528124
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.71264111001922
variable y0 equal ${yi}
variable y0 equal 8.37165092147884
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.6136439700885
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.41902798332271
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2437 -2.9871562 -2.6729801 -2.657141
2438 -2.9871562 -2.6729801 -2.6466705
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.71264111001922
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.37165092147884
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.89040735601722
variable y0 equal ${yi}
variable y0 equal 6.45623155371179
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.87026623129188
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.43623380199899
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2438 -2.9871562 -2.6729801 -2.6466705
2439 -2.9871562 -2.6729801 -2.6708032
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.89040735601722
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.45623155371179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.87472111581661
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 1.02108964513573
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2439 -2.9871562 -2.6729801 -2.6708032
2440 -2.9871562 -2.6729801 -2.6450257
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.57288145302412
variable y0 equal ${yi}
variable y0 equal 3.68945432467593
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.66196238278028
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.608541579677
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2440 -2.9871562 -2.6729801 -2.6450257
2441 -2.9871562 -2.6729801 -2.6665315
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.57288145302412
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.68945432467593
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.500509889522458
variable y0 equal ${yi}
variable y0 equal 4.59161240214273
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.569605214992429
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.62976808899805
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2441 -2.9871562 -2.6729801 -2.6665315
2442 -2.9871562 -2.6729801 -2.6703263
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 42 x ${x0}
set atom 42 x 0.500509889522458
1 settings made for x
set atom $i y ${y0}
set atom 42 y ${y0}
set atom 42 y 4.59161240214273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.7038741310291
variable y0 equal ${yi}
variable y0 equal 3.65389419360293
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.6394732673816
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.67210212512148
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2442 -2.9871562 -2.6729801 -2.6703263
2443 -2.9871562 -2.6729801 -2.6657046
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 10.7038741310291
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.65389419360293
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78193971434718
variable y0 equal ${yi}
variable y0 equal 8.31736352361736
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.8602925590623
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.40810329832134
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2443 -2.9871562 -2.6729801 -2.6657046
2444 -2.9871562 -2.6729801 -2.6431594
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78193971434718
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.31736352361736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.74727117021515
variable y0 equal ${yi}
variable y0 equal 6.50648560062877
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.81875602205231
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.46671911016933
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2444 -2.9871562 -2.6729801 -2.6431594
2445 -2.9871562 -2.6729801 -2.6589458
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.74727117021515
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.50648560062877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.525174053111937
variable y0 equal ${yi}
variable y0 equal 0.894475575197066
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.505471845069792
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.807812817800368
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2445 -2.9871562 -2.6729801 -2.6589458
2446 -2.9871562 -2.6729801 -2.6605795
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.894475575197066
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.65179307659102
variable y0 equal ${yi}
variable y0 equal 2.85066882344583
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.62607493598891
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.94128836366037
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2446 -2.9871562 -2.6729801 -2.6605795
2447 -2.9871562 -2.6729801 -2.6349945
Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms
2511.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.65179307659102
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.85066882344583
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 6.99553199091598
variable y0 equal ${yi}
variable y0 equal 8.37164120592174
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 6.93915987291976
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.43049979127941
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2447 -2.9871562 -2.6729801 -2.6349945
2448 -2.9871562 -2.6729801 -2.6696187
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.37164120592174
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07343188841992
variable y0 equal ${yi}
variable y0 equal 1.85961672446793
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.13405762036496
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.91971053264206
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2448 -2.9871562 -2.6729801 -2.6696187
2449 -2.9871562 -2.6729801 -2.6523994
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.07343188841992
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.85961672446793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.59829139590045
variable y0 equal ${yi}
variable y0 equal 2.77385951253275
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.62670646786471
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.76773884269098
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2449 -2.9871562 -2.6729801 -2.6523994
2450 -2.9871562 -2.6729801 -2.6723259
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.59829139590045
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.77385951253275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.74727117021515
variable y0 equal ${yi}
variable y0 equal 6.50648560062877
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.71998424728348
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.55711456076137
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2450 -2.9871562 -2.6729801 -2.6723259
2451 -2.9871562 -2.6729801 -2.6613657
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.74727117021515
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.50648560062877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.98550258834353
variable y0 equal ${yi}
variable y0 equal 6.47227353588572
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 6.05613430697909
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.54370138184062
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2451 -2.9871562 -2.6729801 -2.6613657
2452 -2.9871562 -2.6729801 -2.6406402
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.98550258834353
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.47227353588572
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.525174053111937
variable y0 equal ${yi}
variable y0 equal 0.894475575197066
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.554133351245787
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.858190162885512
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2452 -2.9871562 -2.6729801 -2.6406402
2453 -2.9871562 -2.6729801 -2.6662407
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.894475575197066
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 0.0324913382529836
variable y0 equal ${yi}
variable y0 equal 5.50569564049439
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 0.062061429023705
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.47091410105423
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2453 -2.9871562 -2.6729801 -2.6662407
2454 -2.9871562 -2.6729801 -2.6606036
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 0.0324913382529836
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.50569564049439
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.88060106316253
variable y0 equal ${yi}
variable y0 equal 0.960105260122139
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.90220784226104
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.913237865674812
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2454 -2.9871562 -2.6729801 -2.6606036
2455 -2.9871562 -2.6729801 -2.6723665
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.88060106316253
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.960105260122139
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.90643909493572
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.87744742604593
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2455 -2.9871562 -2.6729801 -2.6723665
2456 -2.9871562 -2.6729801 -2.6410619
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.85977786752084
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.21827521959649
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.83304312608308
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2456 -2.9871562 -2.6729801 -2.6410619
2457 -2.9871562 -2.6729801 -2.6621578
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.58521930454847
variable y0 equal ${yi}
variable y0 equal 1.81828533790177
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.63759286879179
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.79007758281296
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2457 -2.9871562 -2.6729801 -2.6621578
2458 -2.9871562 -2.6729801 -2.6677494
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.58521930454847
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.81828533790177
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.37311956961365
variable y0 equal ${yi}
variable y0 equal 3.73546738190782
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.33963643391342
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.83546374602449
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2458 -2.9871562 -2.6729801 -2.6677494
2459 -2.9871562 -2.6729801 -2.640633
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.37311956961365
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.73546738190782
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80623258868343
variable y0 equal ${yi}
variable y0 equal 6.50073292986383
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.84689959803707
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.46320098177423
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2459 -2.9871562 -2.6729801 -2.640633
2460 -2.9871562 -2.6729801 -2.672404
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.80623258868343
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.50073292986383
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.4643855285557
variable y0 equal ${yi}
variable y0 equal 3.79889360232483
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.43750552653391
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.71109053654801
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2460 -2.9871562 -2.6729801 -2.672404
2461 -2.9871562 -2.6729801 -2.6750718
Loop time of 7.9155e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.67507182580089
variable naccept equal ${increment}
variable naccept equal 442
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.80623258868343
variable y0 equal ${yi}
variable y0 equal 6.50073292986383
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.8275111011613
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.48541394011011
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2461 -2.9871562 -2.6750718 -2.6750718
2462 -2.9871562 -2.6750718 -2.6758756
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.67587562013179
variable naccept equal ${increment}
variable naccept equal 443
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.71089048861144
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.37073431339527
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2462 -2.9871562 -2.6758756 -2.6758756
2463 -2.9871562 -2.6758756 -2.6752564
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.07854169050561
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.79039312980241
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2463 -2.9871562 -2.6758756 -2.6752564
2464 -2.9871562 -2.6758756 -2.6540239
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.64148960311842
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.62794814461633
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2464 -2.9871562 -2.6758756 -2.6540239
2465 -2.9871562 -2.6758756 -2.6569978
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31596373716261
variable y0 equal ${yi}
variable y0 equal 1.83819601914949
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.27601794401075
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.81100696704454
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2465 -2.9871562 -2.6758756 -2.6569978
2466 -2.9871562 -2.6758756 -2.6685331
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31596373716261
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.83819601914949
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.525174053111937
variable y0 equal ${yi}
variable y0 equal 0.894475575197066
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.568958397308257
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.891818888891066
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2466 -2.9871562 -2.6758756 -2.6685331
2467 -2.9871562 -2.6758756 -2.6703556
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.894475575197066
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 0.0324913382529836
variable y0 equal ${yi}
variable y0 equal 5.50569564049439
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 0.0931103110313039
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.47361640875535
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2467 -2.9871562 -2.6758756 -2.6703556
2468 -2.9871562 -2.6758756 -2.6546219
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 0.0324913382529836
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.50569564049439
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.56843688645784
variable y0 equal ${yi}
variable y0 equal 5.60343744700151
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.60410251775209
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.67671769802766
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2468 -2.9871562 -2.6758756 -2.6546219
2469 -2.9871562 -2.6758756 -2.6701366
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.56843688645784
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.60343744700151
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.74202143787679
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.40473294176158
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2469 -2.9871562 -2.6758756 -2.6701366
2470 -2.9871562 -2.6758756 -2.6552347
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7447922309093
variable y0 equal ${yi}
variable y0 equal 1.85953156135149
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.7978355963878
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.83505871675081
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2470 -2.9871562 -2.6758756 -2.6552347
2471 -2.9871562 -2.6758756 -2.6723551
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 10.7447922309093
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.85953156135149
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.21955398082295
variable y0 equal ${yi}
variable y0 equal 7.40080375995898
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.16306031703511
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.45442326393389
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2471 -2.9871562 -2.6758756 -2.6723551
2472 -2.9871562 -2.6758756 -2.6612081
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.21955398082295
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.40080375995898
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.58521930454847
variable y0 equal ${yi}
variable y0 equal 1.81828533790177
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.62048832653639
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.7839539088971
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2472 -2.9871562 -2.6758756 -2.6612081
2473 -2.9871562 -2.6758756 -2.6719253
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.58521930454847
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.81828533790177
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.43750552653391
variable y0 equal ${yi}
variable y0 equal 3.71109053654801
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.46872171877939
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.63189066214692
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2473 -2.9871562 -2.6758756 -2.6719253
2474 -2.9871562 -2.6758756 -2.6479025
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.43750552653391
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.71109053654801
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.30972831010381
variable y0 equal ${yi}
variable y0 equal 5.57299091761308
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.29802477120916
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.57190024798112
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2474 -2.9871562 -2.6758756 -2.6479025
2475 -2.9871562 -2.6758756 -2.6760465
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.67604647212514
variable naccept equal ${increment}
variable naccept equal 444
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.22542145013372
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 0.116746926307688
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2475 -2.9871562 -2.6760465 -2.6760465
2476 -2.9871562 -2.6760465 -2.6555658
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.77766234516441
variable y0 equal ${yi}
variable y0 equal 0.927607925641864
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.81945318817436
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.972488828409045
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2476 -2.9871562 -2.6760465 -2.6555658
2477 -2.9871562 -2.6760465 -2.6681725
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.927607925641864
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.43266175189879
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.62533801739412
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2477 -2.9871562 -2.6760465 -2.6681725
2478 -2.9871562 -2.6760465 -2.6656715
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.58521930454847
variable y0 equal ${yi}
variable y0 equal 1.81828533790177
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.54385236977216
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.79902594468659
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2478 -2.9871562 -2.6760465 -2.6656715
2479 -2.9871562 -2.6760465 -2.6717637
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.58521930454847
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.81828533790177
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.1252069651971
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.31877472318705
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2479 -2.9871562 -2.6760465 -2.6717637
2480 -2.9871562 -2.6760465 -2.6619571
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.43750552653391
variable y0 equal ${yi}
variable y0 equal 3.71109053654801
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.38054412125666
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.63811403079163
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2480 -2.9871562 -2.6760465 -2.6619571
2481 -2.9871562 -2.6760465 -2.6272267
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.43750552653391
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.71109053654801
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.56843688645784
variable y0 equal ${yi}
variable y0 equal 5.60343744700151
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.63255620160524
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.62287912314134
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2481 -2.9871562 -2.6760465 -2.6272267
2482 -2.9871562 -2.6760465 -2.6724834
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.56843688645784
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.60343744700151
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.1429072439561
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.27161590971048
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2482 -2.9871562 -2.6760465 -2.6724834
2483 -2.9871562 -2.6760465 -2.646136
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.05432130693294
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.31604041971262
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.95790398954688
variable y0 equal ${yi}
variable y0 equal 4.55875416153833
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.90190082430182
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.64044535511896
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2483 -2.9871562 -2.6760465 -2.646136
2484 -2.9871562 -2.6760465 -2.6869445
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.68694449246806
variable naccept equal ${increment}
variable naccept equal 445
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.98550258834353
variable y0 equal ${yi}
variable y0 equal 6.47227353588572
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.96551856954089
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.44962929026118
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2484 -2.9871562 -2.6869445 -2.6869445
2485 -2.9871562 -2.6869445 -2.6868966
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.68689656181847
variable naccept equal ${increment}
variable naccept equal 446
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.43822470107939
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.50241793339448
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2485 -2.9871562 -2.6868966 -2.6868966
2486 -2.9871562 -2.6868966 -2.6731725
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.92034897763721
variable y0 equal ${yi}
variable y0 equal 2.80042437287667
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.83638107736103
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.79404927464822
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2486 -2.9871562 -2.6868966 -2.6731725
2487 -2.9871562 -2.6868966 -2.659627
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.92034897763721
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.80042437287667
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.68512376427431
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.7540370499508
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2487 -2.9871562 -2.6868966 -2.659627
2488 -2.9871562 -2.6868966 -2.6702329
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.89040735601722
variable y0 equal ${yi}
variable y0 equal 6.45623155371179
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.80190362572013
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.40830033556451
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2488 -2.9871562 -2.6868966 -2.6702329
2489 -2.9871562 -2.6868966 -2.6603666
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.89040735601722
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.45623155371179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.21955398082295
variable y0 equal ${yi}
variable y0 equal 7.40080375995898
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.13023570537129
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.32527170505786
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2489 -2.9871562 -2.6868966 -2.6603666
2490 -2.9871562 -2.6868966 -2.6000911
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.21955398082295
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.40080375995898
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.94641846377841
variable y0 equal ${yi}
variable y0 equal 4.67712874764368
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.87901177365771
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.63237179869577
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2490 -2.9871562 -2.6868966 -2.6000911
2491 -2.9871562 -2.6868966 -2.6840578
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.94641846377841
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.67712874764368
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.27178276856155
variable y0 equal ${yi}
variable y0 equal 0.00600513219834582
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.3465277798912
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y -0.038505995273578
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2491 -2.9871562 -2.6868966 -2.6840578
2492 -2.9871562 -2.6868966 -2.6617074
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.27178276856155
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.00600513219834582
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.50780906835024
variable y0 equal ${yi}
variable y0 equal 1.87973840615815
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.51648090043489
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.84042694947785
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2492 -2.9871562 -2.6868966 -2.6617074
2493 -2.9871562 -2.6868966 -2.6926426
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.69264255296387
variable naccept equal ${increment}
variable naccept equal 447
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.471776421466732
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.85544481250146
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2493 -2.9871562 -2.6926426 -2.6926426
2494 -2.9871562 -2.6926426 -2.6675103
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.3041320331833
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 2.00528960607118
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2494 -2.9871562 -2.6926426 -2.6675103
2495 -2.9871562 -2.6926426 -2.6753679
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07343188841992
variable y0 equal ${yi}
variable y0 equal 1.85961672446793
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 0.998586347896391
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.8273900666005
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2495 -2.9871562 -2.6926426 -2.6753679
2496 -2.9871562 -2.6926426 -2.682896
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.07343188841992
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.85961672446793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31596373716261
variable y0 equal ${yi}
variable y0 equal 1.83819601914949
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.39202789464857
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.79635786197252
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2496 -2.9871562 -2.6926426 -2.682896
2497 -2.9871562 -2.6926426 -2.6682906
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31596373716261
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.83819601914949
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.2013416862444
variable y0 equal ${yi}
variable y0 equal 1.98039417645997
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.19985853194753
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.9827362098462
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2497 -2.9871562 -2.6926426 -2.6682906
2498 -2.9871562 -2.6926426 -2.6923119
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.2013416862444
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.98039417645997
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.01815503238536
variable y0 equal ${yi}
variable y0 equal 2.72729808064798
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 7.96342524885036
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.71862456771234
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2498 -2.9871562 -2.6926426 -2.6923119
2499 -2.9871562 -2.6926426 -2.6811371
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.01815503238536
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.72729808064798
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.98599239308387
variable y0 equal ${yi}
variable y0 equal 0.925951715219346
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.97111774403602
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.847791083562699
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2499 -2.9871562 -2.6926426 -2.6811371
2500 -2.9871562 -2.6926426 -2.665093
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.98599239308387
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.925951715219346
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.66552203774233
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.42365395940837
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2500 -2.9871562 -2.6926426 -2.665093
2501 -2.9871562 -2.6926426 -2.6831547
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.18122052589761
variable y0 equal ${yi}
variable y0 equal 7.43532284822726
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.16076294819223
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.39294575777316
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2501 -2.9871562 -2.6926426 -2.6831547
2502 -2.9871562 -2.6926426 -2.6900641
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.18122052589761
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.43532284822726
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.56200896659319
variable y0 equal ${yi}
variable y0 equal 9.2929022978577
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.52370623507921
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.39268836486667
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2502 -2.9871562 -2.6926426 -2.6900641
2503 -2.9871562 -2.6926426 -2.6694697
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.56200896659319
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.2929022978577
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.21297804752694
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.78955631635255
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2503 -2.9871562 -2.6926426 -2.6694697
2504 -2.9871562 -2.6926426 -2.6752054
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.82209716359263
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.67436261528894
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2504 -2.9871562 -2.6926426 -2.6752054
2505 -2.9871562 -2.6926426 -2.6884218
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.84254707057468
variable y0 equal ${yi}
variable y0 equal 0.912364717233509
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.75489987094394
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.970988412607044
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2505 -2.9871562 -2.6926426 -2.6884218
2506 -2.9871562 -2.6926426 -2.6654725
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.84254707057468
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.912364717233509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.36826337972548
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.59279017393785
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2506 -2.9871562 -2.6926426 -2.6654725
2507 -2.9871562 -2.6926426 -2.6812879
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.634184368053341
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.79075897904733
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2507 -2.9871562 -2.6926426 -2.6812879
2508 -2.9871562 -2.6926426 -2.6687403
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.545649071136379
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.77431966039041
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.27178276856155
variable y0 equal ${yi}
variable y0 equal 0.00600513219834582
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.31960460026474
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y -0.0533848404884218
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2508 -2.9871562 -2.6926426 -2.6687403
2509 -2.9871562 -2.6926426 -2.6775192
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.27178276856155
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.00600513219834582
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.32041905005189
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.34070321645999
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2509 -2.9871562 -2.6926426 -2.6775192
2510 -2.9871562 -2.6926426 -2.6828459
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.43750552653391
variable y0 equal ${yi}
variable y0 equal 3.71109053654801
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.47742998122294
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.76617543263566
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2510 -2.9871562 -2.6926426 -2.6828459
2511 -2.9871562 -2.6926426 -2.6958995
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.69589950401615
variable naccept equal ${increment}
variable naccept equal 448
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31596373716261
variable y0 equal ${yi}
variable y0 equal 1.83819601914949
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.41443130174543
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.8335958041913
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2511 -2.9871562 -2.6958995 -2.6958995
2512 -2.9871562 -2.6958995 -2.6631698
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31596373716261
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.83819601914949
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.28435096819611
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.40754920568728
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2512 -2.9871562 -2.6958995 -2.6631698
2513 -2.9871562 -2.6958995 -2.694946
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.18528815586778
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.92469724795884
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2513 -2.9871562 -2.6958995 -2.694946
2514 -2.9871562 -2.6958995 -2.6698044
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.72738070645755
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.45948853817249
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2514 -2.9871562 -2.6958995 -2.6698044
2515 -2.9871562 -2.6958995 -2.6849349
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.64328949609225
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.40728055563236
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.09545654971154
variable y0 equal ${yi}
variable y0 equal 8.37382508434351
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.161497602053
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.37068205989893
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2515 -2.9871562 -2.6958995 -2.6849349
2516 -2.9871562 -2.6958995 -2.6857567
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 98 x ${x0}
set atom 98 x 9.09545654971154
1 settings made for x
set atom $i y ${y0}
set atom 98 y ${y0}
set atom 98 y 8.37382508434351
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.3296460811268
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.58626275007921
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2516 -2.9871562 -2.6958995 -2.6857567
2517 -2.9871562 -2.6958995 -2.6657376
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.94641846377841
variable y0 equal ${yi}
variable y0 equal 4.67712874764368
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.99058518369189
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.66074750775263
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2517 -2.9871562 -2.6958995 -2.6657376
2518 -2.9871562 -2.6958995 -2.6908942
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.94641846377841
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.67712874764368
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.74727117021515
variable y0 equal ${yi}
variable y0 equal 6.50648560062877
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.73009599645569
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.54209098354808
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2518 -2.9871562 -2.6958995 -2.6908942
2519 -2.9871562 -2.6958995 -2.6889645
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.74727117021515
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.50648560062877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.36143123308087
variable y0 equal ${yi}
variable y0 equal 7.41034705963397
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.28303878703976
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.50500270452762
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2519 -2.9871562 -2.6958995 -2.6889645
2520 -2.9871562 -2.6958995 -2.6645118
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.36143123308087
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.41034705963397
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.8275111011613
variable y0 equal ${yi}
variable y0 equal 6.48541394011011
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.82892417231685
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.49794392124643
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2520 -2.9871562 -2.6958995 -2.6645118
2521 -2.9871562 -2.6958995 -2.6948008
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2496.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.8275111011613
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.48541394011011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.545649071136379
variable y0 equal ${yi}
variable y0 equal 2.77431966039041
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.542552276054287
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.78936891528467
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2521 -2.9871562 -2.6958995 -2.6948008
2522 -2.9871562 -2.6958995 -2.6961678
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.6961677805902
variable naccept equal ${increment}
variable naccept equal 449
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.37552396137925
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.38425133552813
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2522 -2.9871562 -2.6961678 -2.6961678
2523 -2.9871562 -2.6961678 -2.6873989
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.88060106316253
variable y0 equal ${yi}
variable y0 equal 0.960105260122139
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.82990014830276
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 1.00548795055183
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2523 -2.9871562 -2.6961678 -2.6873989
2524 -2.9871562 -2.6961678 -2.6835296
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.88060106316253
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.960105260122139
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.49497903466006
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.60304630154534
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2524 -2.9871562 -2.6961678 -2.6835296
2525 -2.9871562 -2.6961678 -2.6637259
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.58521930454847
variable y0 equal ${yi}
variable y0 equal 1.81828533790177
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.52427670239088
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.76765001199311
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2525 -2.9871562 -2.6961678 -2.6637259
2526 -2.9871562 -2.6961678 -2.6816515
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2496.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.58521930454847
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.81828533790177
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.44209136485177
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y -0.0953646898269617
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2526 -2.9871562 -2.6961678 -2.6816515
2527 -2.9871562 -2.6961678 -2.6824967
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 0.0324913382529836
variable y0 equal ${yi}
variable y0 equal 5.50569564049439
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x -0.0512205719948191
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.43324025814728
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2527 -2.9871562 -2.6961678 -2.6824967
2528 -2.9871562 -2.6961678 -2.677284
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 0.0324913382529836
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.50569564049439
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.52396155435811
variable y0 equal ${yi}
variable y0 equal 3.76348131461275
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.53332637388478
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.68295677466524
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2528 -2.9871562 -2.6961678 -2.677284
2529 -2.9871562 -2.6961678 -2.6932554
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.52396155435811
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.76348131461275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68984863638659
variable y0 equal ${yi}
variable y0 equal 6.46641751066677
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.67359857439776
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.53233353630535
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2529 -2.9871562 -2.6961678 -2.6932554
2530 -2.9871562 -2.6961678 -2.6944322
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68984863638659
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46641751066677
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 6.99553199091598
variable y0 equal ${yi}
variable y0 equal 8.37164120592174
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.05685017386123
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.4623811355978
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2530 -2.9871562 -2.6961678 -2.6944322
2531 -2.9871562 -2.6961678 -2.6674652
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2496.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.37164120592174
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78193971434718
variable y0 equal ${yi}
variable y0 equal 8.31736352361736
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.74395711938029
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.29059977449474
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2531 -2.9871562 -2.6961678 -2.6674652
2532 -2.9871562 -2.6961678 -2.6921928
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78193971434718
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.31736352361736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.74727117021515
variable y0 equal ${yi}
variable y0 equal 6.50648560062877
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.78658100564911
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.4304710103654
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2532 -2.9871562 -2.6961678 -2.6921928
2533 -2.9871562 -2.6961678 -2.6868598
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.74727117021515
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.50648560062877
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.36143123308087
variable y0 equal ${yi}
variable y0 equal 7.41034705963397
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.30052438178921
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.48109097805285
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2533 -2.9871562 -2.6961678 -2.6868598
2534 -2.9871562 -2.6961678 -2.6779658
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.36143123308087
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.41034705963397
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.11356125195676
variable y0 equal ${yi}
variable y0 equal 3.71681254668367
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.08030164559537
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.75154196782243
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2534 -2.9871562 -2.6961678 -2.6779658
2535 -2.9871562 -2.6961678 -2.6933173
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.11356125195676
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.71681254668367
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.5878455599004
variable y0 equal ${yi}
variable y0 equal 9.28117802846759
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.5279774625951
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.32322272765964
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2535 -2.9871562 -2.6961678 -2.6933173
2536 -2.9871562 -2.6961678 -2.6648417
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.5878455599004
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.28117802846759
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1636192683241
variable y0 equal ${yi}
variable y0 equal 2.70693036290506
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.188491762068
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.73674997063974
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2536 -2.9871562 -2.6961678 -2.6648417
2537 -2.9871562 -2.6961678 -2.698014
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.69801396675776
variable naccept equal ${increment}
variable naccept equal 450
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.09545654971154
variable y0 equal ${yi}
variable y0 equal 8.37382508434351
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.1309702249244
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.39277704872187
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2537 -2.9871562 -2.698014 -2.698014
2538 -2.9871562 -2.698014 -2.695023
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 98 x ${x0}
set atom 98 x 9.09545654971154
1 settings made for x
set atom $i y ${y0}
set atom 98 y ${y0}
set atom 98 y 8.37382508434351
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.71306710123797
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.39491246856746
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2538 -2.9871562 -2.698014 -2.695023
2539 -2.9871562 -2.698014 -2.6815982
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.58521930454847
variable y0 equal ${yi}
variable y0 equal 1.81828533790177
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.60361686228391
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.87668323895997
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2539 -2.9871562 -2.698014 -2.6815982
2540 -2.9871562 -2.698014 -2.6933638
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.58521930454847
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.81828533790177
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.32826618352797
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.55577976649004
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2540 -2.9871562 -2.698014 -2.6933638
2541 -2.9871562 -2.698014 -2.6717815
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.85353361009893
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.36821463026103
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2541 -2.9871562 -2.698014 -2.6717815
2542 -2.9871562 -2.698014 -2.6967447
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.11976422666408
variable y0 equal ${yi}
variable y0 equal 6.57524594799509
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.18596313594676
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.58775347010126
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2542 -2.9871562 -2.698014 -2.6967447
2543 -2.9871562 -2.698014 -2.659146
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.11976422666408
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.57524594799509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.68296865423155
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.7715963994877
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2543 -2.9871562 -2.698014 -2.659146
2544 -2.9871562 -2.698014 -2.6427479
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 6.99553199091598
variable y0 equal ${yi}
variable y0 equal 8.37164120592174
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 6.93040358105346
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.45145515121517
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2544 -2.9871562 -2.698014 -2.6427479
2545 -2.9871562 -2.698014 -2.6889534
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.37164120592174
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07343188841992
variable y0 equal ${yi}
variable y0 equal 1.85961672446793
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.05475207884961
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.94112024686402
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2545 -2.9871562 -2.698014 -2.6889534
2546 -2.9871562 -2.698014 -2.6778952
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.07343188841992
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.85961672446793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.8275111011613
variable y0 equal ${yi}
variable y0 equal 6.48541394011011
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.80389782706386
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.40803216234674
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2546 -2.9871562 -2.698014 -2.6778952
2547 -2.9871562 -2.698014 -2.6852409
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.8275111011613
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.48541394011011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.09958864171057
variable y0 equal ${yi}
variable y0 equal 2.75573046180108
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.14799176175146
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.74966537925103
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2547 -2.9871562 -2.698014 -2.6852409
2548 -2.9871562 -2.698014 -2.6922106
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.09958864171057
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.75573046180108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.49694004773217
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y -0.0702461838722193
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2548 -2.9871562 -2.698014 -2.6922106
2549 -2.9871562 -2.698014 -2.6808514
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.542552276054287
variable y0 equal ${yi}
variable y0 equal 2.78936891528467
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.637862213054562
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.74931192370752
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2549 -2.9871562 -2.698014 -2.6808514
2550 -2.9871562 -2.698014 -2.6673197
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.542552276054287
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.78936891528467
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.81075823782562
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.42048241224552
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2550 -2.9871562 -2.698014 -2.6673197
2551 -2.9871562 -2.698014 -2.6585309
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.52148601848851
variable y0 equal ${yi}
variable y0 equal 5.57813051884371
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.53690113861333
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.60041694586474
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2551 -2.9871562 -2.698014 -2.6585309
2552 -2.9871562 -2.698014 -2.6971636
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 75 x ${x0}
set atom 75 x 7.52148601848851
1 settings made for x
set atom $i y ${y0}
set atom 75 y ${y0}
set atom 75 y 5.57813051884371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.37311956961365
variable y0 equal ${yi}
variable y0 equal 3.73546738190782
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.29980197031708
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.71884295506608
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2552 -2.9871562 -2.698014 -2.6971636
2553 -2.9871562 -2.698014 -2.689947
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.37311956961365
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.73546738190782
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.27820665040876
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y -0.0742270112037684
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2553 -2.9871562 -2.698014 -2.689947
2554 -2.9871562 -2.698014 -2.6742052
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.2013416862444
variable y0 equal ${yi}
variable y0 equal 1.98039417645997
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.13897298335591
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.9303927459485
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2554 -2.9871562 -2.698014 -2.6742052
2555 -2.9871562 -2.698014 -2.6858788
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.2013416862444
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.98039417645997
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.21955398082295
variable y0 equal ${yi}
variable y0 equal 7.40080375995898
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.26613374709645
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.43164389457965
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2555 -2.9871562 -2.698014 -2.6858788
2556 -2.9871562 -2.698014 -2.7006348
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.70063479489847
variable naccept equal ${increment}
variable naccept equal 451
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.12605889161282
variable y0 equal ${yi}
variable y0 equal 7.46482060280108
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.21953285058194
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.54418562975192
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2556 -2.9871562 -2.7006348 -2.7006348
2557 -2.9871562 -2.7006348 -2.6377546
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.12605889161282
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.46482060280108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.51648090043489
variable y0 equal ${yi}
variable y0 equal 1.84042694947785
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.55357514777605
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.92715486667222
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2557 -2.9871562 -2.7006348 -2.6377546
2558 -2.9871562 -2.7006348 -2.6766686
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 37 x ${x0}
set atom 37 x 8.51648090043489
1 settings made for x
set atom $i y ${y0}
set atom 37 y ${y0}
set atom 37 y 1.84042694947785
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.47742998122294
variable y0 equal ${yi}
variable y0 equal 3.76617543263566
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.40229851721842
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.7651808933748
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2558 -2.9871562 -2.7006348 -2.6766686
2559 -2.9871562 -2.7006348 -2.689228
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.47742998122294
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.76617543263566
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.77766234516441
variable y0 equal ${yi}
variable y0 equal 0.927607925641864
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.79551150440513
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.87845972369942
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2559 -2.9871562 -2.7006348 -2.689228
2560 -2.9871562 -2.7006348 -2.6917273
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.927607925641864
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78193971434718
variable y0 equal ${yi}
variable y0 equal 8.31736352361736
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.81128548899775
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.31695167936382
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2560 -2.9871562 -2.7006348 -2.6917273
2561 -2.9871562 -2.7006348 -2.6980912
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78193971434718
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.31736352361736
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.92034897763721
variable y0 equal ${yi}
variable y0 equal 2.80042437287667
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.83175660331241
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.879074680532
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2561 -2.9871562 -2.7006348 -2.6980912
2562 -2.9871562 -2.7006348 -2.5604699
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.92034897763721
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.80042437287667
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.11356125195676
variable y0 equal ${yi}
variable y0 equal 3.71681254668367
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.12192881425077
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.70080264372957
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2562 -2.9871562 -2.7006348 -2.5604699
2563 -2.9871562 -2.7006348 -2.6995958
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.11356125195676
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.71681254668367
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.39674942015725
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y -0.0597492098808253
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2563 -2.9871562 -2.7006348 -2.6995958
2564 -2.9871562 -2.7006348 -2.6963255
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.96551856954089
variable y0 equal ${yi}
variable y0 equal 6.44962929026118
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.9971891279935
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.39527924791804
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2564 -2.9871562 -2.7006348 -2.6963255
2565 -2.9871562 -2.7006348 -2.6895607
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.96551856954089
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.44962929026118
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87285548408023
variable y0 equal ${yi}
variable y0 equal 8.36937119878825
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.78233742673389
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.37443318285045
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2565 -2.9871562 -2.7006348 -2.6895607
2566 -2.9871562 -2.7006348 -2.6743015
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.36937119878825
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.00678724327727
variable y0 equal ${yi}
variable y0 equal 4.66030267828866
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.08966980257674
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.71512214297219
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2566 -2.9871562 -2.7006348 -2.6743015
2567 -2.9871562 -2.7006348 -2.681152
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.00678724327727
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.66030267828866
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.1851203922291
variable y0 equal ${yi}
variable y0 equal 0.955667336690753
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.2831909779568
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 1.02215185951027
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2567 -2.9871562 -2.7006348 -2.681152
2568 -2.9871562 -2.7006348 -2.6647078
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.1851203922291
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.955667336690753
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.57288145302412
variable y0 equal ${yi}
variable y0 equal 3.68945432467593
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.52349410532591
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.60588275952472
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2568 -2.9871562 -2.7006348 -2.6647078
2569 -2.9871562 -2.7006348 -2.6606655
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.57288145302412
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.68945432467593
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.89040735601722
variable y0 equal ${yi}
variable y0 equal 6.45623155371179
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.95194928287803
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.5126018597268
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2569 -2.9871562 -2.7006348 -2.6606655
2570 -2.9871562 -2.7006348 -2.6862804
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.89040735601722
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.45623155371179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.654104717174436
variable y0 equal ${yi}
variable y0 equal 6.49111358658304
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.737294288078214
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.50633165375223
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2570 -2.9871562 -2.7006348 -2.6862804
2571 -2.9871562 -2.7006348 -2.6676421
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.654104717174436
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.49111358658304
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.37311956961365
variable y0 equal ${yi}
variable y0 equal 3.73546738190782
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.35138355572434
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.66874072117937
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2571 -2.9871562 -2.7006348 -2.6676421
2572 -2.9871562 -2.7006348 -2.6815645
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.37311956961365
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.73546738190782
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.29802477120916
variable y0 equal ${yi}
variable y0 equal 5.57190024798112
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.34885059356252
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.58310182039933
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2572 -2.9871562 -2.7006348 -2.6815645
2573 -2.9871562 -2.7006348 -2.6950072
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.29802477120916
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.57190024798112
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.6009168970563
variable y0 equal ${yi}
variable y0 equal 0.937610264528124
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.54963209509631
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.855540295350878
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2573 -2.9871562 -2.7006348 -2.6950072
2574 -2.9871562 -2.7006348 -2.6910874
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.6009168970563
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.937610264528124
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 1.09178573210888
variable y0 equal ${yi}
variable y0 equal 5.57776011173921
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 1.10569001753979
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.63939816897111
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2574 -2.9871562 -2.7006348 -2.6910874
2575 -2.9871562 -2.7006348 -2.6835747
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 63 x ${x0}
set atom 63 x 1.09178573210888
1 settings made for x
set atom $i y ${y0}
set atom 63 y ${y0}
set atom 63 y 5.57776011173921
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.500509889522458
variable y0 equal ${yi}
variable y0 equal 4.59161240214273
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.584043617645169
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.55639323347971
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2575 -2.9871562 -2.7006348 -2.6835747
2576 -2.9871562 -2.7006348 -2.6915681
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 42 x ${x0}
set atom 42 x 0.500509889522458
1 settings made for x
set atom $i y ${y0}
set atom 42 y ${y0}
set atom 42 y 4.59161240214273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.3473601738539
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.57445806210237
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2576 -2.9871562 -2.7006348 -2.6915681
2577 -2.9871562 -2.7006348 -2.6841246
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.29028950968
variable y0 equal ${yi}
variable y0 equal 6.46599212423793
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.2349726323149
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.46799464956752
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2577 -2.9871562 -2.7006348 -2.6841246
2578 -2.9871562 -2.7006348 -2.6946657
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.29028950968
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.46599212423793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.30197534004556
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.54876764958101
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2578 -2.9871562 -2.7006348 -2.6946657
2579 -2.9871562 -2.7006348 -2.6798604
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.41105691034568
variable y0 equal ${yi}
variable y0 equal 1.86285059831208
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.46691363889945
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.83050130984849
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2579 -2.9871562 -2.7006348 -2.6798604
2580 -2.9871562 -2.7006348 -2.694572
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 35 x ${x0}
set atom 35 x 7.41105691034568
1 settings made for x
set atom $i y ${y0}
set atom 35 y ${y0}
set atom 35 y 1.86285059831208
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.9284785330186
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 1.03043286393914
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2580 -2.9871562 -2.7006348 -2.694572
2581 -2.9871562 -2.7006348 -2.6817646
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.96506712713882
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.91911294432977
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2581 -2.9871562 -2.7006348 -2.6817646
2582 -2.9871562 -2.7006348 -2.681941
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.96551856954089
variable y0 equal ${yi}
variable y0 equal 6.44962929026118
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 6.02212908227435
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.52897243038645
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2582 -2.9871562 -2.7006348 -2.681941
2583 -2.9871562 -2.7006348 -2.6866911
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.96551856954089
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.44962929026118
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.2013416862444
variable y0 equal ${yi}
variable y0 equal 1.98039417645997
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.17962225436726
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 2.04807496450013
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2583 -2.9871562 -2.7006348 -2.6866911
2584 -2.9871562 -2.7006348 -2.6783451
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.2013416862444
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.98039417645997
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54984512486879
variable y0 equal ${yi}
variable y0 equal 3.69442252679001
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.58966868081514
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.69221943183075
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2584 -2.9871562 -2.7006348 -2.6783451
2585 -2.9871562 -2.7006348 -2.6953982
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.54984512486879
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.69442252679001
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87285548408023
variable y0 equal ${yi}
variable y0 equal 8.36937119878825
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.94838156659595
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.39943413652476
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2585 -2.9871562 -2.7006348 -2.6953982
2586 -2.9871562 -2.7006348 -2.6948096
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.36937119878825
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.35099447487909
variable y0 equal ${yi}
variable y0 equal 1.92307773015564
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.44518744467813
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 1.89759155891007
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2586 -2.9871562 -2.7006348 -2.6948096
2587 -2.9871562 -2.7006348 -2.6934663
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 33 x ${x0}
set atom 33 x 6.35099447487909
1 settings made for x
set atom $i y ${y0}
set atom 33 y ${y0}
set atom 33 y 1.92307773015564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.64809929013033
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.61340254897042
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2587 -2.9871562 -2.7006348 -2.6934663
2588 -2.9871562 -2.7006348 -2.6945833
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.78755337515955
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.65580582970545
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2588 -2.9871562 -2.7006348 -2.6945833
2589 -2.9871562 -2.7006348 -2.6985824
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.12605889161282
variable y0 equal ${yi}
variable y0 equal 7.46482060280108
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.07443509419613
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.51801632967257
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2589 -2.9871562 -2.7006348 -2.6985824
2590 -2.9871562 -2.7006348 -2.6948938
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.12605889161282
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.46482060280108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.96551856954089
variable y0 equal ${yi}
variable y0 equal 6.44962929026118
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 5.92684092481128
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.36417243019572
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2590 -2.9871562 -2.7006348 -2.6948938
2591 -2.9871562 -2.7006348 -2.6717669
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.96551856954089
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.44962929026118
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31596373716261
variable y0 equal ${yi}
variable y0 equal 1.83819601914949
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.26395225921538
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.81124366900987
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2591 -2.9871562 -2.7006348 -2.6717669
2592 -2.9871562 -2.7006348 -2.6902124
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31596373716261
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.83819601914949
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.94641846377841
variable y0 equal ${yi}
variable y0 equal 4.67712874764368
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.87756260592929
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.6061620151417
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2592 -2.9871562 -2.7006348 -2.6902124
2593 -2.9871562 -2.7006348 -2.6977179
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.94641846377841
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.67712874764368
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.84254707057468
variable y0 equal ${yi}
variable y0 equal 0.912364717233509
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.88945846517078
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.881611307370991
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2593 -2.9871562 -2.7006348 -2.6977179
2594 -2.9871562 -2.7006348 -2.6899308
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.84254707057468
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.912364717233509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.65179307659102
variable y0 equal ${yi}
variable y0 equal 2.85066882344583
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.5671245237155
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.78788267346719
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2594 -2.9871562 -2.7006348 -2.6899308
2595 -2.9871562 -2.7006348 -2.6759031
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2496.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.65179307659102
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.85066882344583
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.35463644345017
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.42256514158511
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2595 -2.9871562 -2.7006348 -2.6759031
2596 -2.9871562 -2.7006348 -2.6992857
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.37311956961365
variable y0 equal ${yi}
variable y0 equal 3.73546738190782
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.39878770191879
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.68452413840425
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2596 -2.9871562 -2.7006348 -2.6992857
2597 -2.9871562 -2.7006348 -2.6861069
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.37311956961365
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.73546738190782
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.6009168970563
variable y0 equal ${yi}
variable y0 equal 0.937610264528124
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.59496410965701
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.98112608979973
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2597 -2.9871562 -2.7006348 -2.6861069
2598 -2.9871562 -2.7006348 -2.694682
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.6009168970563
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.937610264528124
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.92034897763721
variable y0 equal ${yi}
variable y0 equal 2.80042437287667
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.82074961621753
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.86116967173913
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2598 -2.9871562 -2.7006348 -2.694682
2599 -2.9871562 -2.7006348 -2.5798502
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.92034897763721
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.80042437287667
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 0.0324913382529836
variable y0 equal ${yi}
variable y0 equal 5.50569564049439
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x -0.0635516285896678
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.41439078991608
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2599 -2.9871562 -2.7006348 -2.5798502
2600 -2.9871562 -2.7006348 -2.6699839
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 0.0324913382529836
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.50569564049439
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.12605889161282
variable y0 equal ${yi}
variable y0 equal 7.46482060280108
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.21224615891629
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.4017136367824
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2600 -2.9871562 -2.7006348 -2.6699839
2601 -2.9871562 -2.7006348 -2.6795513
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.12605889161282
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.46482060280108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.51648090043489
variable y0 equal ${yi}
variable y0 equal 1.84042694947785
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.46533149638597
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.84132162711686
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2601 -2.9871562 -2.7006348 -2.6795513
2602 -2.9871562 -2.7006348 -2.6949656
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 37 x ${x0}
set atom 37 x 8.51648090043489
1 settings made for x
set atom $i y ${y0}
set atom 37 y ${y0}
set atom 37 y 1.84042694947785
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.5055693610407
variable y0 equal ${yi}
variable y0 equal 0.0092600703239441
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.558701358626
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y 0.0242168188095093
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2602 -2.9871562 -2.7006348 -2.6949656
2603 -2.9871562 -2.7006348 -2.6887503
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.5055693610407
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0092600703239441
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.64328949609225
variable y0 equal ${yi}
variable y0 equal 7.40728055563236
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.67711982884829
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.46412369337345
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2603 -2.9871562 -2.7006348 -2.6887503
2604 -2.9871562 -2.7006348 -2.7046452
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.70464519472648
variable naccept equal ${increment}
variable naccept equal 452
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.29028950968
variable y0 equal ${yi}
variable y0 equal 6.46599212423793
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.3787669304869
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.50604328648082
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2604 -2.9871562 -2.7046452 -2.7046452
2605 -2.9871562 -2.7046452 -2.6852269
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.29028950968
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.46599212423793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 0.0324913382529836
variable y0 equal ${yi}
variable y0 equal 5.50569564049439
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 0.0419918060302358
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.43804975693421
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2605 -2.9871562 -2.7046452 -2.6852269
2606 -2.9871562 -2.7046452 -2.6832073
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 0.0324913382529836
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.50569564049439
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.525174053111937
variable y0 equal ${yi}
variable y0 equal 0.894475575197066
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.535015495220091
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.810810240018691
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2606 -2.9871562 -2.7046452 -2.6832073
2607 -2.9871562 -2.7046452 -2.6891419
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.894475575197066
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.42980369408341
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.46108376925189
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2607 -2.9871562 -2.7046452 -2.6891419
2608 -2.9871562 -2.7046452 -2.6668171
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.542552276054287
variable y0 equal ${yi}
variable y0 equal 2.78936891528467
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.572640962997341
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.70345852347711
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2608 -2.9871562 -2.7046452 -2.6668171
2609 -2.9871562 -2.7046452 -2.6857567
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.542552276054287
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.78936891528467
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.10495061277249
variable y0 equal ${yi}
variable y0 equal 4.66507560366557
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.18309224246838
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.70779266709254
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2609 -2.9871562 -2.7046452 -2.6857567
2610 -2.9871562 -2.7046452 -2.6769771
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.10495061277249
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.66507560366557
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.542552276054287
variable y0 equal ${yi}
variable y0 equal 2.78936891528467
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.552168138423824
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.72173788520197
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2610 -2.9871562 -2.7046452 -2.6769771
2611 -2.9871562 -2.7046452 -2.6954908
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.542552276054287
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.78936891528467
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.89040735601722
variable y0 equal ${yi}
variable y0 equal 6.45623155371179
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.98746696352302
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.41155855194559
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2611 -2.9871562 -2.7046452 -2.6954908
2612 -2.9871562 -2.7046452 -2.6712565
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.89040735601722
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.45623155371179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.2428034345236
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y -0.0612062573432947
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2612 -2.9871562 -2.7046452 -2.6712565
2613 -2.9871562 -2.7046452 -2.669377
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.71264111001922
variable y0 equal ${yi}
variable y0 equal 8.37165092147884
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.70592355926467
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.41815028108654
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2613 -2.9871562 -2.7046452 -2.669377
2614 -2.9871562 -2.7046452 -2.7013655
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.71264111001922
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.37165092147884
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.91230959533986
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.37542806781825
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2614 -2.9871562 -2.7046452 -2.7013655
2615 -2.9871562 -2.7046452 -2.6818408
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.41105691034568
variable y0 equal ${yi}
variable y0 equal 1.86285059831208
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.35859206754935
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.88430741212434
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2615 -2.9871562 -2.7046452 -2.6818408
2616 -2.9871562 -2.7046452 -2.6948068
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 35 x ${x0}
set atom 35 x 7.41105691034568
1 settings made for x
set atom $i y ${y0}
set atom 35 y ${y0}
set atom 35 y 1.86285059831208
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.13902074734077
variable y0 equal ${yi}
variable y0 equal 9.29444277990191
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.13448198477134
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.35304003465502
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2616 -2.9871562 -2.7046452 -2.6948068
2617 -2.9871562 -2.7046452 -2.7009348
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.13902074734077
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 9.29444277990191
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.56837597965975
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.77653905505105
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2617 -2.9871562 -2.7046452 -2.7009348
2618 -2.9871562 -2.7046452 -2.6647076
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.56843688645784
variable y0 equal ${yi}
variable y0 equal 5.60343744700151
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.65119221368257
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.56243050043779
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2618 -2.9871562 -2.7046452 -2.6647076
2619 -2.9871562 -2.7046452 -2.6828524
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 77 x ${x0}
set atom 77 x 8.56843688645784
1 settings made for x
set atom $i y ${y0}
set atom 77 y ${y0}
set atom 77 y 5.60343744700151
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.6009168970563
variable y0 equal ${yi}
variable y0 equal 0.937610264528124
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.53266681313296
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.898944528806536
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2619 -2.9871562 -2.7046452 -2.6828524
2620 -2.9871562 -2.7046452 -2.6960184
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.6009168970563
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.937610264528124
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 0.0324913382529836
variable y0 equal ${yi}
variable y0 equal 5.50569564049439
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x -0.0270819187164683
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.51889411156373
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2620 -2.9871562 -2.7046452 -2.6960184
2621 -2.9871562 -2.7046452 -2.7048199
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.70481992988255
variable naccept equal ${increment}
variable naccept equal 453
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.97054464219906
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.868297572839588
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2621 -2.9871562 -2.7048199 -2.7048199
2622 -2.9871562 -2.7048199 -2.6913729
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.65179307659102
variable y0 equal ${yi}
variable y0 equal 2.85066882344583
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.6904257078929
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.75636243792871
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2622 -2.9871562 -2.7048199 -2.6913729
2623 -2.9871562 -2.7048199 -2.6692649
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.65179307659102
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.85066882344583
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.84850091575917
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.41353768028315
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2623 -2.9871562 -2.7048199 -2.6692649
2624 -2.9871562 -2.7048199 -2.6984721
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.16288858372719
variable y0 equal ${yi}
variable y0 equal 4.74496568793221
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.06848975140602
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.8065523182766
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2624 -2.9871562 -2.7048199 -2.6984721
2625 -2.9871562 -2.7048199 -2.6557221
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.16288858372719
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.74496568793221
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.33254208087044
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 0.0227779269218481
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2625 -2.9871562 -2.7048199 -2.6557221
2626 -2.9871562 -2.7048199 -2.6930625
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72890197554714
variable y0 equal ${yi}
variable y0 equal 1.0604893166903
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.73674124995357
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.07919786762032
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2626 -2.9871562 -2.7048199 -2.6930625
2627 -2.9871562 -2.7048199 -2.7003959
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72890197554714
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.0604893166903
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.35495205322172
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y -0.091431069374087
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2627 -2.9871562 -2.7048199 -2.7003959
2628 -2.9871562 -2.7048199 -2.6856073
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.12605889161282
variable y0 equal ${yi}
variable y0 equal 7.46482060280108
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.11725830157452
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.47841743555331
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2628 -2.9871562 -2.7048199 -2.6856073
2629 -2.9871562 -2.7048199 -2.704375
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.12605889161282
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.46482060280108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.11356125195676
variable y0 equal ${yi}
variable y0 equal 3.71681254668367
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.18245015462094
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.65810405774248
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2629 -2.9871562 -2.7048199 -2.704375
2630 -2.9871562 -2.7048199 -2.6841672
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.11356125195676
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.71681254668367
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.74727117021515
variable y0 equal ${yi}
variable y0 equal 6.50648560062877
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.75945490796997
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.47566335932247
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2630 -2.9871562 -2.7048199 -2.6841672
2631 -2.9871562 -2.7048199 -2.7030603
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.7030602545657
variable naccept equal ${increment}
variable naccept equal 454
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.15111655909569
variable y0 equal ${yi}
variable y0 equal 6.52915453449718
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.13537685591728
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.61038380400173
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2631 -2.9871562 -2.7030603 -2.7030603
2632 -2.9871562 -2.7030603 -2.6727153
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.15111655909569
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.52915453449718
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.26613374709645
variable y0 equal ${yi}
variable y0 equal 7.43164389457965
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.362138137813
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.50452940788531
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2632 -2.9871562 -2.7030603 -2.6727153
2633 -2.9871562 -2.7030603 -2.6309462
Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.26613374709645
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.43164389457965
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.15111655909569
variable y0 equal ${yi}
variable y0 equal 6.52915453449718
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.14633041340859
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.60855509773723
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2633 -2.9871562 -2.7030603 -2.6309462
2634 -2.9871562 -2.7030603 -2.6745678
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.15111655909569
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.52915453449718
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.29028950968
variable y0 equal ${yi}
variable y0 equal 6.46599212423793
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.1980445388815
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.36676827208034
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2634 -2.9871562 -2.7030603 -2.6745678
2635 -2.9871562 -2.7030603 -2.6113513
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.29028950968
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.46599212423793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.65731989620803
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.30741226997638
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2635 -2.9871562 -2.7030603 -2.6113513
2636 -2.9871562 -2.7030603 -2.6610916
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.47742998122294
variable y0 equal ${yi}
variable y0 equal 3.76617543263566
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.3933114957722
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.79016564650666
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2636 -2.9871562 -2.7030603 -2.6610916
2637 -2.9871562 -2.7030603 -2.6840348
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.47742998122294
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.76617543263566
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.84976321974878
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.70564747208521
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2637 -2.9871562 -2.7030603 -2.6840348
2638 -2.9871562 -2.7030603 -2.6851701
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.98761748352691
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.91910030814507
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2638 -2.9871562 -2.7030603 -2.6851701
2639 -2.9871562 -2.7030603 -2.6852697
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.64772825716613
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.35689802494312
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2639 -2.9871562 -2.7030603 -2.6852697
2640 -2.9871562 -2.7030603 -2.6809284
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.90190082430182
variable y0 equal ${yi}
variable y0 equal 4.64044535511896
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.92057361244498
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.60940848940775
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2640 -2.9871562 -2.7030603 -2.6809284
2641 -2.9871562 -2.7030603 -2.7036524
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.70365237925636
variable naccept equal ${increment}
variable naccept equal 455
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.41105691034568
variable y0 equal ${yi}
variable y0 equal 1.86285059831208
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.3122910006739
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.83196628472871
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2641 -2.9871562 -2.7036524 -2.7036524
2642 -2.9871562 -2.7036524 -2.6697223
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 35 x ${x0}
set atom 35 x 7.41105691034568
1 settings made for x
set atom $i y ${y0}
set atom 35 y ${y0}
set atom 35 y 1.86285059831208
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.69106418092681
variable y0 equal ${yi}
variable y0 equal 0.920749815214004
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.73956649501754
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 1.00193682502541
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2642 -2.9871562 -2.7036524 -2.6697223
2643 -2.9871562 -2.7036524 -2.6934608
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.69106418092681
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.920749815214004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.87783981203376
variable y0 equal ${yi}
variable y0 equal 2.82051414224007
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.85706444620429
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.77346667023995
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2643 -2.9871562 -2.7036524 -2.6934608
2644 -2.9871562 -2.7036524 -2.7088546
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.70885460622655
variable naccept equal ${increment}
variable naccept equal 456
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.10495061277249
variable y0 equal ${yi}
variable y0 equal 4.66507560366557
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.05216715930798
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.64304670447276
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2644 -2.9871562 -2.7088546 -2.7088546
2645 -2.9871562 -2.7088546 -2.7059721
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 56 x ${x0}
set atom 56 x 8.10495061277249
1 settings made for x
set atom $i y ${y0}
set atom 56 y ${y0}
set atom 56 y 4.66507560366557
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.77766234516441
variable y0 equal ${yi}
variable y0 equal 0.927607925641864
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.80039609312355
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.83455754112038
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2645 -2.9871562 -2.7088546 -2.7059721
2646 -2.9871562 -2.7088546 -2.6800889
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.927607925641864
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 30
variable x0 equal ${xi}
variable x0 equal 4.85706444620429
variable y0 equal ${yi}
variable y0 equal 2.77346667023995
set atom $i x ${xnew}
set atom 30 x ${xnew}
set atom 30 x 4.78567788242637
1 settings made for x
set atom $i y ${ynew}
set atom 30 y ${ynew}
set atom 30 y 2.75696754428246
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2646 -2.9871562 -2.7088546 -2.6800889
2647 -2.9871562 -2.7088546 -2.6855561
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 30 x ${x0}
set atom 30 x 4.85706444620429
1 settings made for x
set atom $i y ${y0}
set atom 30 y ${y0}
set atom 30 y 2.77346667023995
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.7038741310291
variable y0 equal ${yi}
variable y0 equal 3.65389419360293
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.7540793140583
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.69223694367541
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2647 -2.9871562 -2.7088546 -2.6855561
2648 -2.9871562 -2.7088546 -2.7056937
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 10.7038741310291
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.65389419360293
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.42922221818829
variable y0 equal ${yi}
variable y0 equal 3.64031273884904
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.48251538673306
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.6992679910196
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2648 -2.9871562 -2.7088546 -2.7056937
2649 -2.9871562 -2.7088546 -2.7124775
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2496.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.71247748777283
variable naccept equal ${increment}
variable naccept equal 457
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.48251538673306
variable y0 equal ${yi}
variable y0 equal 3.6992679910196
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.44444048801327
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.75813489718568
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2649 -2.9871562 -2.7124775 -2.7124775
2650 -2.9871562 -2.7124775 -2.7156776
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.71567758564723
variable naccept equal ${increment}
variable naccept equal 458
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.35099447487909
variable y0 equal ${yi}
variable y0 equal 1.92307773015564
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.32390024184305
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 1.92492269656723
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2650 -2.9871562 -2.7156776 -2.7156776
2651 -2.9871562 -2.7156776 -2.7077537
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 33 x ${x0}
set atom 33 x 6.35099447487909
1 settings made for x
set atom $i y ${y0}
set atom 33 y ${y0}
set atom 33 y 1.92307773015564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.30362197239609
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.32080015268588
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2651 -2.9871562 -2.7156776 -2.7077537
2652 -2.9871562 -2.7156776 -2.6952391
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54984512486879
variable y0 equal ${yi}
variable y0 equal 3.69442252679001
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.57125539937441
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.75455953641068
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2652 -2.9871562 -2.7156776 -2.6952391
2653 -2.9871562 -2.7156776 -2.711206
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.54984512486879
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.69442252679001
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.56893776535769
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.42966240562495
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2653 -2.9871562 -2.7156776 -2.711206
2654 -2.9871562 -2.7156776 -2.7074293
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.13902074734077
variable y0 equal ${yi}
variable y0 equal 9.29444277990191
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.22536597887382
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.23958830345004
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2654 -2.9871562 -2.7156776 -2.7074293
2655 -2.9871562 -2.7156776 -2.6951242
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.13902074734077
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 9.29444277990191
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78193971434718
variable y0 equal ${yi}
variable y0 equal 8.31736352361736
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.80285523453837
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.35734108604488
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2655 -2.9871562 -2.7156776 -2.6951242
2656 -2.9871562 -2.7156776 -2.7170925
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.71709249824702
variable naccept equal ${increment}
variable naccept equal 459
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.542552276054287
variable y0 equal ${yi}
variable y0 equal 2.78936891528467
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.64038989106741
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.74501775475839
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2656 -2.9871562 -2.7170925 -2.7170925
2657 -2.9871562 -2.7170925 -2.6836923
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.542552276054287
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.78936891528467
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.44444048801327
variable y0 equal ${yi}
variable y0 equal 3.75813489718568
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.39868607917691
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.67517432732713
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2657 -2.9871562 -2.7170925 -2.6836923
2658 -2.9871562 -2.7170925 -2.7197189
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.71971890735215
variable naccept equal ${increment}
variable naccept equal 460
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.05432130693294
variable y0 equal ${yi}
variable y0 equal 8.31604041971262
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.0514173328767
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.32951669611032
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2658 -2.9871562 -2.7197189 -2.7197189
2659 -2.9871562 -2.7197189 -2.7214696
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.7214696367236
variable naccept equal ${increment}
variable naccept equal 461
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.25175436814042
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.86330255649156
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2659 -2.9871562 -2.7214696 -2.7214696
2660 -2.9871562 -2.7214696 -2.7095906
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.16288858372719
variable y0 equal ${yi}
variable y0 equal 4.74496568793221
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.21441050488503
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.73022846335335
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2660 -2.9871562 -2.7214696 -2.7095906
2661 -2.9871562 -2.7214696 -2.7161403
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.16288858372719
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.74496568793221
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87285548408023
variable y0 equal ${yi}
variable y0 equal 8.36937119878825
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.88735650737277
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.41617354072627
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2661 -2.9871562 -2.7214696 -2.7161403
2662 -2.9871562 -2.7214696 -2.7178841
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.36937119878825
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.5878455599004
variable y0 equal ${yi}
variable y0 equal 9.28117802846759
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.6275681813413
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.19288629997104
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2662 -2.9871562 -2.7214696 -2.7178841
2663 -2.9871562 -2.7214696 -2.7136191
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 1 x ${x0}
set atom 1 x 10.5878455599004
1 settings made for x
set atom $i y ${y0}
set atom 1 y ${y0}
set atom 1 y 9.28117802846759
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.16288858372719
variable y0 equal ${yi}
variable y0 equal 4.74496568793221
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.13853420931847
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.77247737997933
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2663 -2.9871562 -2.7214696 -2.7136191
2664 -2.9871562 -2.7214696 -2.7137026
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.16288858372719
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.74496568793221
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.11356125195676
variable y0 equal ${yi}
variable y0 equal 3.71681254668367
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.07957508881742
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.64464852376115
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2664 -2.9871562 -2.7214696 -2.7137026
2665 -2.9871562 -2.7214696 -2.7113032
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.11356125195676
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.71681254668367
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.66362923859236
variable y0 equal ${yi}
variable y0 equal 5.65359488671022
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.59424621342299
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.65730353539186
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2665 -2.9871562 -2.7214696 -2.7113032
2666 -2.9871562 -2.7214696 -2.707505
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.66362923859236
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.65359488671022
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.18122052589761
variable y0 equal ${yi}
variable y0 equal 7.43532284822726
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.19763512054788
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.51957247581744
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2666 -2.9871562 -2.7214696 -2.707505
2667 -2.9871562 -2.7214696 -2.7054381
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.18122052589761
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.43532284822726
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.41373123009415
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.28942189541125
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2667 -2.9871562 -2.7214696 -2.7054381
2668 -2.9871562 -2.7214696 -2.6675992
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.07963643709527
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.77708725116319
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2668 -2.9871562 -2.7214696 -2.6675992
2669 -2.9871562 -2.7214696 -2.694758
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68984863638659
variable y0 equal ${yi}
variable y0 equal 6.46641751066677
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.76970442414065
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.56419703499309
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2669 -2.9871562 -2.7214696 -2.694758
2670 -2.9871562 -2.7214696 -2.6952803
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68984863638659
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46641751066677
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.34233012913781
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y -0.051255035400387
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2670 -2.9871562 -2.7214696 -2.6952803
2671 -2.9871562 -2.7214696 -2.7102249
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.98599239308387
variable y0 equal ${yi}
variable y0 equal 0.925951715219346
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.93419921118766
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.93942206691536
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2671 -2.9871562 -2.7214696 -2.7102249
2672 -2.9871562 -2.7214696 -2.7041786
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.98599239308387
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.925951715219346
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.35099447487909
variable y0 equal ${yi}
variable y0 equal 1.92307773015564
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.30808935879785
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 1.93454616448944
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2672 -2.9871562 -2.7214696 -2.7041786
2673 -2.9871562 -2.7214696 -2.7025284
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 33 x ${x0}
set atom 33 x 6.35099447487909
1 settings made for x
set atom $i y ${y0}
set atom 33 y ${y0}
set atom 33 y 1.92307773015564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.83093271771557
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.89053015681604
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2673 -2.9871562 -2.7214696 -2.7025284
2674 -2.9871562 -2.7214696 -2.7157795
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.85977786752084
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 13
variable x0 equal ${xi}
variable x0 equal 6.40156468867379
variable y0 equal ${yi}
variable y0 equal 0.00304889678955437
set atom $i x ${xnew}
set atom 13 x ${xnew}
set atom 13 x 6.36817613362389
1 settings made for x
set atom $i y ${ynew}
set atom 13 y ${ynew}
set atom 13 y 0.0744795322418249
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2674 -2.9871562 -2.7214696 -2.7157795
2675 -2.9871562 -2.7214696 -2.7041161
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 13 x ${x0}
set atom 13 x 6.40156468867379
1 settings made for x
set atom $i y ${y0}
set atom 13 y ${y0}
set atom 13 y 0.00304889678955437
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.47742998122294
variable y0 equal ${yi}
variable y0 equal 3.76617543263566
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.57371679066737
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.76772266192567
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2675 -2.9871562 -2.7214696 -2.7041161
2676 -2.9871562 -2.7214696 -2.6839855
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.47742998122294
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.76617543263566
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.6009168970563
variable y0 equal ${yi}
variable y0 equal 0.937610264528124
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.59732948422213
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 1.01469989608559
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2676 -2.9871562 -2.7214696 -2.6839855
2677 -2.9871562 -2.7214696 -2.7058685
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.6009168970563
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.937610264528124
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.11976422666408
variable y0 equal ${yi}
variable y0 equal 6.57524594799509
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.0438908040414
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.5764069153451
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2677 -2.9871562 -2.7214696 -2.7058685
2678 -2.9871562 -2.7214696 -2.7163054
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.11976422666408
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.57524594799509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.188491762068
variable y0 equal ${yi}
variable y0 equal 2.73674997063974
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.288448477175
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.64021456214288
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2678 -2.9871562 -2.7214696 -2.7163054
2679 -2.9871562 -2.7214696 -2.6456524
Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms
2511.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.188491762068
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.73674997063974
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.52396155435811
variable y0 equal ${yi}
variable y0 equal 3.76348131461275
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.53527552921544
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.71127284331453
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2679 -2.9871562 -2.7214696 -2.6456524
2680 -2.9871562 -2.7214696 -2.7220096
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.72200962217294
variable naccept equal ${increment}
variable naccept equal 462
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.94641846377841
variable y0 equal ${yi}
variable y0 equal 4.67712874764368
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.9323459144353
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.75706758850977
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2680 -2.9871562 -2.7220096 -2.7220096
2681 -2.9871562 -2.7220096 -2.6726973
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.94641846377841
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.67712874764368
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.1851203922291
variable y0 equal ${yi}
variable y0 equal 0.955667336690753
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.1717276934643
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.945514078843921
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2681 -2.9871562 -2.7220096 -2.6726973
2682 -2.9871562 -2.7220096 -2.722519
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.72251902619269
variable naccept equal ${increment}
variable naccept equal 463
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.76486742138204
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.30197147049006
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2682 -2.9871562 -2.722519 -2.722519
2683 -2.9871562 -2.722519 -2.7039505
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.41105691034568
variable y0 equal ${yi}
variable y0 equal 1.86285059831208
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.47378132183326
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.91284848830765
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2683 -2.9871562 -2.722519 -2.7039505
2684 -2.9871562 -2.722519 -2.7091312
Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms
2511.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 35 x ${x0}
set atom 35 x 7.41105691034568
1 settings made for x
set atom $i y ${y0}
set atom 35 y ${y0}
set atom 35 y 1.86285059831208
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.740433256613
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.30608580436969
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2684 -2.9871562 -2.722519 -2.7091312
2685 -2.9871562 -2.722519 -2.7070746
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.75945490796997
variable y0 equal ${yi}
variable y0 equal 6.47566335932247
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.73466015060379
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.38922335640423
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2685 -2.9871562 -2.722519 -2.7070746
2686 -2.9871562 -2.722519 -2.6887709
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.75945490796997
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.47566335932247
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.75945490796997
variable y0 equal ${yi}
variable y0 equal 6.47566335932247
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.83711492021515
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.56790925995342
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2686 -2.9871562 -2.722519 -2.6887709
2687 -2.9871562 -2.722519 -2.6961936
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.75945490796997
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.47566335932247
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.49270002364235
variable y0 equal ${yi}
variable y0 equal 5.51694749539096
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.49794888018685
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.57422027533252
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2687 -2.9871562 -2.722519 -2.6961936
2688 -2.9871562 -2.722519 -2.7294276
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.72942759381766
variable naccept equal ${increment}
variable naccept equal 464
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.11356125195676
variable y0 equal ${yi}
variable y0 equal 3.71681254668367
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.14863796551877
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.75852446122301
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2688 -2.9871562 -2.7294276 -2.7294276
2689 -2.9871562 -2.7294276 -2.7223753
Loop time of 3.98159e-05 on 1 procs for 1 steps with 100 atoms
2511.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.11356125195676
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.71681254668367
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.542552276054287
variable y0 equal ${yi}
variable y0 equal 2.78936891528467
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.464358873763943
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.84546110602716
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2689 -2.9871562 -2.7294276 -2.7223753
2690 -2.9871562 -2.7294276 -2.7034617
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.542552276054287
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.78936891528467
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.188491762068
variable y0 equal ${yi}
variable y0 equal 2.73674997063974
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1299801353476
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.75316406461099
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2690 -2.9871562 -2.7294276 -2.7034617
2691 -2.9871562 -2.7294276 -2.7284565
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.72845649066357
variable naccept equal ${increment}
variable naccept equal 465
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68984863638659
variable y0 equal ${yi}
variable y0 equal 6.46641751066677
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.72472916722079
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.4376760794305
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2691 -2.9871562 -2.7284565 -2.7284565
2692 -2.9871562 -2.7284565 -2.722133
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68984863638659
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46641751066677
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.12605889161282
variable y0 equal ${yi}
variable y0 equal 7.46482060280108
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.07568526585751
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.49030645218157
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2692 -2.9871562 -2.7284565 -2.722133
2693 -2.9871562 -2.7284565 -2.726817
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.12605889161282
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.46482060280108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.25321313778268
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.64288129751878
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2693 -2.9871562 -2.7284565 -2.726817
2694 -2.9871562 -2.7284565 -2.7091348
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2436.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87285548408023
variable y0 equal ${yi}
variable y0 equal 8.36937119878825
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.93159664828769
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.38791520513591
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2694 -2.9871562 -2.7284565 -2.7091348
2695 -2.9871562 -2.7284565 -2.7264851
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.36937119878825
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 7.01392143049881
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.84441063376763
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2695 -2.9871562 -2.7284565 -2.7264851
2696 -2.9871562 -2.7284565 -2.721737
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.58521930454847
variable y0 equal ${yi}
variable y0 equal 1.81828533790177
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.5387643384802
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.8785629310376
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2696 -2.9871562 -2.7284565 -2.721737
2697 -2.9871562 -2.7284565 -2.7114301
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.58521930454847
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.81828533790177
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.1386444155346
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.79810808084077
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2697 -2.9871562 -2.7284565 -2.7114301
2698 -2.9871562 -2.7284565 -2.7214259
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 73
variable x0 equal ${xi}
variable x0 equal 6.49794888018685
variable y0 equal ${yi}
variable y0 equal 5.57422027533252
set atom $i x ${xnew}
set atom 73 x ${xnew}
set atom 73 x 6.45296607731896
1 settings made for x
set atom $i y ${ynew}
set atom 73 y ${ynew}
set atom 73 y 5.47534122412402
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2698 -2.9871562 -2.7284565 -2.7214259
2699 -2.9871562 -2.7284565 -2.6965643
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 73 x ${x0}
set atom 73 x 6.49794888018685
1 settings made for x
set atom $i y ${y0}
set atom 73 y ${y0}
set atom 73 y 5.57422027533252
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.39868607917691
variable y0 equal ${yi}
variable y0 equal 3.67517432732713
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.42402232089902
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.68856803937089
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2699 -2.9871562 -2.7284565 -2.6965643
2700 -2.9871562 -2.7284565 -2.731106
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.73110597485438
variable naccept equal ${increment}
variable naccept equal 466
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.51303257782231
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.52597594585681
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2700 -2.9871562 -2.731106 -2.731106
2701 -2.9871562 -2.731106 -2.7058763
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 15
variable x0 equal ${xi}
variable x0 equal 7.5055693610407
variable y0 equal ${yi}
variable y0 equal 0.0092600703239441
set atom $i x ${xnew}
set atom 15 x ${xnew}
set atom 15 x 7.40937424738179
1 settings made for x
set atom $i y ${ynew}
set atom 15 y ${ynew}
set atom 15 y -0.00800001621246337
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2701 -2.9871562 -2.731106 -2.7058763
2702 -2.9871562 -2.731106 -2.7214321
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 15 x ${x0}
set atom 15 x 7.5055693610407
1 settings made for x
set atom $i y ${y0}
set atom 15 y ${y0}
set atom 15 y 0.0092600703239441
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 72
variable x0 equal ${xi}
variable x0 equal 5.96551856954089
variable y0 equal ${yi}
variable y0 equal 6.44962929026118
set atom $i x ${xnew}
set atom 72 x ${xnew}
set atom 72 x 6.00215858180514
1 settings made for x
set atom $i y ${ynew}
set atom 72 y ${ynew}
set atom 72 y 6.47153796688548
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2702 -2.9871562 -2.731106 -2.7214321
2703 -2.9871562 -2.731106 -2.7294075
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 72 x ${x0}
set atom 72 x 5.96551856954089
1 settings made for x
set atom $i y ${y0}
set atom 72 y ${y0}
set atom 72 y 6.44962929026118
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 6
variable x0 equal ${xi}
variable x0 equal 2.69106418092681
variable y0 equal ${yi}
variable y0 equal 0.920749815214004
set atom $i x ${xnew}
set atom 6 x ${xnew}
set atom 6 x 2.66547602613402
1 settings made for x
set atom $i y ${ynew}
set atom 6 y ${ynew}
set atom 6 y 0.998434432256545
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2703 -2.9871562 -2.731106 -2.7294075
2704 -2.9871562 -2.731106 -2.7253365
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 6 x ${x0}
set atom 6 x 2.69106418092681
1 settings made for x
set atom $i y ${y0}
set atom 6 y ${y0}
set atom 6 y 0.920749815214004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.92034897763721
variable y0 equal ${yi}
variable y0 equal 2.80042437287667
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.87786971290103
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.74551259251931
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2704 -2.9871562 -2.731106 -2.7253365
2705 -2.9871562 -2.731106 -2.7163387
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.92034897763721
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.80042437287667
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.8275111011613
variable y0 equal ${yi}
variable y0 equal 6.48541394011011
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.84298044959193
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.49260471598139
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2705 -2.9871562 -2.731106 -2.7163387
2706 -2.9871562 -2.731106 -2.7294478
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.8275111011613
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.48541394011011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0322040319442937
variable y0 equal ${yi}
variable y0 equal 7.38692112293505
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 0.0764795422554204
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.37272928085589
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2706 -2.9871562 -2.731106 -2.7294478
2707 -2.9871562 -2.731106 -2.7290627
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.38692112293505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.12605889161282
variable y0 equal ${yi}
variable y0 equal 7.46482060280108
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.16764707883053
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.41679591264987
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2707 -2.9871562 -2.731106 -2.7290627
2708 -2.9871562 -2.731106 -2.7256972
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.12605889161282
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.46482060280108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.4093781359932
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.56035293286044
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2708 -2.9871562 -2.731106 -2.7256972
2709 -2.9871562 -2.731106 -2.7239929
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.23357237020837
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.79704995913636
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2709 -2.9871562 -2.731106 -2.7239929
2710 -2.9871562 -2.731106 -2.7220537
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.84254707057468
variable y0 equal ${yi}
variable y0 equal 0.912364717233509
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.92326618392459
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.857952364194721
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2710 -2.9871562 -2.731106 -2.7220537
2711 -2.9871562 -2.731106 -2.6992529
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.84254707057468
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.912364717233509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.59829139590045
variable y0 equal ${yi}
variable y0 equal 2.77385951253275
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.55340592741748
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.80287414761881
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2711 -2.9871562 -2.731106 -2.6992529
2712 -2.9871562 -2.731106 -2.7230038
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.59829139590045
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.77385951253275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 21
variable x0 equal ${xi}
variable x0 equal 10.7447922309093
variable y0 equal ${yi}
variable y0 equal 1.85953156135149
set atom $i x ${xnew}
set atom 21 x ${xnew}
set atom 21 x 10.7785144766025
1 settings made for x
set atom $i y ${ynew}
set atom 21 y ${ynew}
set atom 21 y 1.91773183724947
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2712 -2.9871562 -2.731106 -2.7230038
2713 -2.9871562 -2.731106 -2.720688
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 21 x ${x0}
set atom 21 x 10.7447922309093
1 settings made for x
set atom $i y ${y0}
set atom 21 y ${y0}
set atom 21 y 1.85953156135149
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.29028950968
variable y0 equal ${yi}
variable y0 equal 6.46599212423793
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.2404472235701
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.389216346898
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2713 -2.9871562 -2.731106 -2.720688
2714 -2.9871562 -2.731106 -2.6913327
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.29028950968
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.46599212423793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.31721924622269
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.62326985542972
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2714 -2.9871562 -2.731106 -2.6913327
2715 -2.9871562 -2.731106 -2.7133827
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.525174053111937
variable y0 equal ${yi}
variable y0 equal 0.894475575197066
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.612135000625517
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.805140944230879
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2715 -2.9871562 -2.731106 -2.7133827
2716 -2.9871562 -2.731106 -2.682904
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.894475575197066
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.28515384276124
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.4428104872008
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2716 -2.9871562 -2.731106 -2.682904
2717 -2.9871562 -2.731106 -2.6825629
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.718617399519
variable y0 equal ${yi}
variable y0 equal 5.51889411156373
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.6222172935657
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.56380438749986
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2717 -2.9871562 -2.731106 -2.6825629
2718 -2.9871562 -2.731106 -2.6890035
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 10.718617399519
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.51889411156373
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.8275111011613
variable y0 equal ${yi}
variable y0 equal 6.48541394011011
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.73718843976146
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.50781034962168
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2718 -2.9871562 -2.731106 -2.6890035
2719 -2.9871562 -2.731106 -2.7139746
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.8275111011613
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.48541394011011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.718617399519
variable y0 equal ${yi}
variable y0 equal 5.51889411156373
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.7244650800877
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.51692237799363
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2719 -2.9871562 -2.731106 -2.7139746
2720 -2.9871562 -2.731106 -2.7316597
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.73165971135672
variable naccept equal ${increment}
variable naccept equal 467
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.80285523453837
variable y0 equal ${yi}
variable y0 equal 8.35734108604488
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.86322336712962
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.34620171703395
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2720 -2.9871562 -2.7316597 -2.7316597
2721 -2.9871562 -2.7316597 -2.7113999
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.80285523453837
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.35734108604488
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.57771970509168
variable y0 equal ${yi}
variable y0 equal 0.0528771042823788
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.55914769648191
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y -0.0269455552101139
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2721 -2.9871562 -2.7316597 -2.7113999
2722 -2.9871562 -2.7316597 -2.727167
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.57771970509168
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0528771042823788
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.56843688645784
variable y0 equal ${yi}
variable y0 equal 5.60343744700151
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.60149228730623
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.64612317030626
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2722 -2.9871562 -2.7316597 -2.727167
2723 -2.9871562 -2.7316597 -2.7316113
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.73161129658651
variable naccept equal ${increment}
variable naccept equal 468
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.75945490796997
variable y0 equal ${yi}
variable y0 equal 6.47566335932247
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.71603453357651
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.51483389870159
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2723 -2.9871562 -2.7316113 -2.7316113
2724 -2.9871562 -2.7316113 -2.730391
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.75945490796997
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.47566335932247
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.11976422666408
variable y0 equal ${yi}
variable y0 equal 6.57524594799509
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.0613916098962
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.54508387581339
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2724 -2.9871562 -2.7316113 -2.730391
2725 -2.9871562 -2.7316113 -2.7321349
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.73213485394995
variable naccept equal ${increment}
variable naccept equal 469
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.525174053111937
variable y0 equal ${yi}
variable y0 equal 0.894475575197066
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.592343135276701
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.982763834703292
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2725 -2.9871562 -2.7321349 -2.7321349
2726 -2.9871562 -2.7321349 -2.7130247
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.894475575197066
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.09958864171057
variable y0 equal ${yi}
variable y0 equal 2.75573046180108
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.10391168314963
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.74828683110574
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2726 -2.9871562 -2.7321349 -2.7130247
2727 -2.9871562 -2.7321349 -2.7314609
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.09958864171057
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.75573046180108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.66893596529742
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.28350702442225
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2727 -2.9871562 -2.7321349 -2.7314609
2728 -2.9871562 -2.7321349 -2.7085349
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.26613374709645
variable y0 equal ${yi}
variable y0 equal 7.43164389457965
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.34225657939473
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.35520155754352
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2728 -2.9871562 -2.7321349 -2.7085349
2729 -2.9871562 -2.7321349 -2.706921
Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.26613374709645
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.43164389457965
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.89040735601722
variable y0 equal ${yi}
variable y0 equal 6.45623155371179
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.90360141634284
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.36804841295709
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2729 -2.9871562 -2.7321349 -2.706921
2730 -2.9871562 -2.7321349 -2.7059429
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.89040735601722
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.45623155371179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.97048038839199
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.910359640825122
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2730 -2.9871562 -2.7321349 -2.7059429
2731 -2.9871562 -2.7321349 -2.7288805
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.42402232089902
variable y0 equal ${yi}
variable y0 equal 3.68856803937089
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.32488053241635
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.69662285609376
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2731 -2.9871562 -2.7321349 -2.7288805
2732 -2.9871562 -2.7321349 -2.7023229
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.42402232089902
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.68856803937089
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 7.03481884279892
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.76515156003335
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2732 -2.9871562 -2.7321349 -2.7023229
2733 -2.9871562 -2.7321349 -2.7110341
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.42402232089902
variable y0 equal ${yi}
variable y0 equal 3.68856803937089
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.37485285201932
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.61131827397477
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2733 -2.9871562 -2.7321349 -2.7110341
2734 -2.9871562 -2.7321349 -2.7058739
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.42402232089902
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.68856803937089
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.542552276054287
variable y0 equal ${yi}
variable y0 equal 2.78936891528467
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.577830381790066
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.73754199715952
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2734 -2.9871562 -2.7321349 -2.7058739
2735 -2.9871562 -2.7321349 -2.7223507
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.542552276054287
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.78936891528467
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.44710795401651
variable y0 equal ${yi}
variable y0 equal 7.41837643709443
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.47687185525018
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.43093628015778
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2735 -2.9871562 -2.7321349 -2.7223507
2736 -2.9871562 -2.7321349 -2.729343
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.44710795401651
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.41837643709443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.80285523453837
variable y0 equal ${yi}
variable y0 equal 8.35734108604488
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.87444459715968
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.41334544338283
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2736 -2.9871562 -2.7321349 -2.729343
2737 -2.9871562 -2.7321349 -2.6950404
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.80285523453837
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.35734108604488
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 22
variable x0 equal ${xi}
variable x0 equal 0.542552276054287
variable y0 equal ${yi}
variable y0 equal 2.78936891528467
set atom $i x ${xnew}
set atom 22 x ${xnew}
set atom 22 x 0.443231339851284
1 settings made for x
set atom $i y ${ynew}
set atom 22 y ${ynew}
set atom 22 y 2.76042376729349
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2737 -2.9871562 -2.7321349 -2.6950404
2738 -2.9871562 -2.7321349 -2.7215503
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 22 x ${x0}
set atom 22 x 0.542552276054287
1 settings made for x
set atom $i y ${y0}
set atom 22 y ${y0}
set atom 22 y 2.78936891528467
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.6009168970563
variable y0 equal ${yi}
variable y0 equal 0.937610264528124
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.63998800396701
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.856236310708849
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2738 -2.9871562 -2.7321349 -2.7215503
2739 -2.9871562 -2.7321349 -2.7228884
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.6009168970563
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.937610264528124
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.85574802755214
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.95840745757851
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2739 -2.9871562 -2.7321349 -2.7228884
2740 -2.9871562 -2.7321349 -2.7097472
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 45
variable x0 equal ${xi}
variable x0 equal 2.19388546387063
variable y0 equal ${yi}
variable y0 equal 3.77270575328004
set atom $i x ${xnew}
set atom 45 x ${xnew}
set atom 45 x 2.11327207723962
1 settings made for x
set atom $i y ${ynew}
set atom 45 y ${ynew}
set atom 45 y 3.69046806855332
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2740 -2.9871562 -2.7321349 -2.7097472
2741 -2.9871562 -2.7321349 -2.7188533
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 45 x ${x0}
set atom 45 x 2.19388546387063
1 settings made for x
set atom $i y ${y0}
set atom 45 y ${y0}
set atom 45 y 3.77270575328004
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.75945490796997
variable y0 equal ${yi}
variable y0 equal 6.47566335932247
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.81530283887817
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.45558708445064
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2741 -2.9871562 -2.7321349 -2.7188533
2742 -2.9871562 -2.7321349 -2.7214515
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.75945490796997
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.47566335932247
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.16288858372719
variable y0 equal ${yi}
variable y0 equal 4.74496568793221
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.17122378069908
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.84288561695977
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2742 -2.9871562 -2.7321349 -2.7214515
2743 -2.9871562 -2.7321349 -2.6912761
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.16288858372719
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.74496568793221
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.7493215699954
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.6366345559971
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2743 -2.9871562 -2.7321349 -2.6912761
2744 -2.9871562 -2.7321349 -2.7303725
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.500509889522458
variable y0 equal ${yi}
variable y0 equal 4.59161240214273
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.459410722652341
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.52350529784128
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2744 -2.9871562 -2.7321349 -2.7303725
2745 -2.9871562 -2.7321349 -2.7152595
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 42 x ${x0}
set atom 42 x 0.500509889522458
1 settings made for x
set atom $i y ${y0}
set atom 42 y ${y0}
set atom 42 y 4.59161240214273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.500509889522458
variable y0 equal ${yi}
variable y0 equal 4.59161240214273
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.45259110490408
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.52032299393579
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2745 -2.9871562 -2.7321349 -2.7152595
2746 -2.9871562 -2.7321349 -2.7121915
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 42 x ${x0}
set atom 42 x 0.500509889522458
1 settings made for x
set atom $i y ${y0}
set atom 42 y ${y0}
set atom 42 y 4.59161240214273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.11356125195676
variable y0 equal ${yi}
variable y0 equal 3.71681254668367
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.08615428527051
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.78796881003511
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2746 -2.9871562 -2.7321349 -2.7121915
2747 -2.9871562 -2.7321349 -2.720316
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.11356125195676
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.71681254668367
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.58521930454847
variable y0 equal ${yi}
variable y0 equal 1.81828533790177
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.56105897902128
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.76586105010575
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2747 -2.9871562 -2.7321349 -2.720316
2748 -2.9871562 -2.7321349 -2.7237267
Loop time of 4.1008e-05 on 1 procs for 1 steps with 100 atoms
2438.5% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.58521930454847
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.81828533790177
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.88242468157894
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.77902625771859
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2748 -2.9871562 -2.7321349 -2.7237267
2749 -2.9871562 -2.7321349 -2.6799123
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.85977786752084
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.36143123308087
variable y0 equal ${yi}
variable y0 equal 7.41034705963397
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.29436823526288
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.37409855451846
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2749 -2.9871562 -2.7321349 -2.6799123
2750 -2.9871562 -2.7321349 -2.7095958
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.36143123308087
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.41034705963397
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 1.02897904236965
variable y0 equal ${yi}
variable y0 equal 9.27259716499179
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 1.01596815903835
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.18600182044833
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2750 -2.9871562 -2.7321349 -2.7095958
2751 -2.9871562 -2.7321349 -2.7093307
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 3 x ${x0}
set atom 3 x 1.02897904236965
1 settings made for x
set atom $i y ${y0}
set atom 3 y ${y0}
set atom 3 y 9.27259716499179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.7038741310291
variable y0 equal ${yi}
variable y0 equal 3.65389419360293
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.771525271719
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.55796886248721
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2751 -2.9871562 -2.7321349 -2.7093307
2752 -2.9871562 -2.7321349 -2.6864252
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 10.7038741310291
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.65389419360293
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.13902074734077
variable y0 equal ${yi}
variable y0 equal 9.29444277990191
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.18613221088752
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.25905466783373
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2752 -2.9871562 -2.7321349 -2.6864252
2753 -2.9871562 -2.7321349 -2.7251104
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2496.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.13902074734077
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 9.29444277990191
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.48109969932805
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.51832063522601
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2753 -2.9871562 -2.7321349 -2.7251104
2754 -2.9871562 -2.7321349 -2.7101397
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.92057361244498
variable y0 equal ${yi}
variable y0 equal 4.60940848940775
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.95264606117545
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.63440165871546
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2754 -2.9871562 -2.7321349 -2.7101397
2755 -2.9871562 -2.7321349 -2.7255686
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.92057361244498
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.60940848940775
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.29802477120916
variable y0 equal ${yi}
variable y0 equal 5.57190024798112
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.374034247394
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.63926829045015
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2755 -2.9871562 -2.7321349 -2.7255686
2756 -2.9871562 -2.7321349 -2.7051592
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.29802477120916
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.57190024798112
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 74
variable x0 equal ${xi}
variable x0 equal 7.04742242375061
variable y0 equal ${yi}
variable y0 equal 6.46128811375131
set atom $i x ${xnew}
set atom 74 x ${xnew}
set atom 74 x 7.07604214230225
1 settings made for x
set atom $i y ${ynew}
set atom 74 y ${ynew}
set atom 74 y 6.55222554937829
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2756 -2.9871562 -2.7321349 -2.7051592
2757 -2.9871562 -2.7321349 -2.7231798
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 74 x ${x0}
set atom 74 x 7.04742242375061
1 settings made for x
set atom $i y ${y0}
set atom 74 y ${y0}
set atom 74 y 6.46128811375131
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.21282525459196
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0962274551391577
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2757 -2.9871562 -2.7321349 -2.7231798
2758 -2.9871562 -2.7321349 -2.6657771
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.00678724327727
variable y0 equal ${yi}
variable y0 equal 4.66030267828866
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 6.99091418066664
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.74590075367852
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2758 -2.9871562 -2.7321349 -2.6657771
2759 -2.9871562 -2.7321349 -2.7040363
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.00678724327727
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.66030267828866
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.16288858372719
variable y0 equal ${yi}
variable y0 equal 4.74496568793221
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.17698586899788
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.70937407368584
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2759 -2.9871562 -2.7321349 -2.7040363
2760 -2.9871562 -2.7321349 -2.734665
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.73466503851486
variable naccept equal ${increment}
variable naccept equal 470
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.94641846377841
variable y0 equal ${yi}
variable y0 equal 4.67712874764368
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.97087367732516
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.72044085616037
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2760 -2.9871562 -2.734665 -2.734665
2761 -2.9871562 -2.734665 -2.7247555
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.94641846377841
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.67712874764368
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.10532751718865
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.95700883052415
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2761 -2.9871562 -2.734665 -2.7247555
2762 -2.9871562 -2.734665 -2.709741
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.35047749677564
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y -0.0799123287200953
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2762 -2.9871562 -2.734665 -2.709741
2763 -2.9871562 -2.734665 -2.7209108
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87285548408023
variable y0 equal ${yi}
variable y0 equal 8.36937119878825
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.89995702464572
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.43862652696666
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2763 -2.9871562 -2.734665 -2.7209108
2764 -2.9871562 -2.734665 -2.7259148
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.36937119878825
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 98
variable x0 equal ${xi}
variable x0 equal 9.09545654971154
variable y0 equal ${yi}
variable y0 equal 8.37382508434351
set atom $i x ${xnew}
set atom 98 x ${xnew}
set atom 98 x 9.13518403489144
1 settings made for x
set atom $i y ${ynew}
set atom 98 y ${ynew}
set atom 98 y 8.45328273691233
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2764 -2.9871562 -2.734665 -2.7259148
2765 -2.9871562 -2.734665 -2.7277226
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 98 x ${x0}
set atom 98 x 9.09545654971154
1 settings made for x
set atom $i y ${y0}
set atom 98 y ${y0}
set atom 98 y 8.37382508434351
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 23
variable x0 equal ${xi}
variable x0 equal 1.07343188841992
variable y0 equal ${yi}
variable y0 equal 1.85961672446793
set atom $i x ${xnew}
set atom 23 x ${xnew}
set atom 23 x 1.12478874047452
1 settings made for x
set atom $i y ${ynew}
set atom 23 y ${ynew}
set atom 23 y 1.87055945775574
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2765 -2.9871562 -2.734665 -2.7277226
2766 -2.9871562 -2.734665 -2.7284708
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 23 x ${x0}
set atom 23 x 1.07343188841992
1 settings made for x
set atom $i y ${y0}
set atom 23 y ${y0}
set atom 23 y 1.85961672446793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.51648090043489
variable y0 equal ${yi}
variable y0 equal 1.84042694947785
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.59072899976198
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.91424188993043
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2766 -2.9871562 -2.734665 -2.7284708
2767 -2.9871562 -2.734665 -2.7112079
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 37 x ${x0}
set atom 37 x 8.51648090043489
1 settings made for x
set atom $i y ${y0}
set atom 37 y ${y0}
set atom 37 y 1.84042694947785
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0322040319442937
variable y0 equal ${yi}
variable y0 equal 7.38692112293505
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x -0.0163023829459956
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.3930678876903
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2767 -2.9871562 -2.734665 -2.7112079
2768 -2.9871562 -2.734665 -2.7281615
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.38692112293505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.00678724327727
variable y0 equal ${yi}
variable y0 equal 4.66030267828866
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 6.97108395376845
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.6145910894291
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2768 -2.9871562 -2.734665 -2.7281615
2769 -2.9871562 -2.734665 -2.7226607
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.00678724327727
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.66030267828866
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 10
variable x0 equal ${xi}
variable x0 equal 4.77766234516441
variable y0 equal ${yi}
variable y0 equal 0.927607925641864
set atom $i x ${xnew}
set atom 10 x ${xnew}
set atom 10 x 4.72051680921852
1 settings made for x
set atom $i y ${ynew}
set atom 10 y ${ynew}
set atom 10 y 0.934614523160785
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2769 -2.9871562 -2.734665 -2.7226607
2770 -2.9871562 -2.734665 -2.7280453
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 10 x ${x0}
set atom 10 x 4.77766234516441
1 settings made for x
set atom $i y ${y0}
set atom 10 y ${y0}
set atom 10 y 0.927607925641864
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.57288145302412
variable y0 equal ${yi}
variable y0 equal 3.68945432467593
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.48055874584791
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.76122532649173
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2770 -2.9871562 -2.734665 -2.7280453
2771 -2.9871562 -2.734665 -2.6881413
Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.57288145302412
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.68945432467593
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.80285523453837
variable y0 equal ${yi}
variable y0 equal 8.35734108604488
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.78350791255122
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.3979895225912
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2771 -2.9871562 -2.734665 -2.6881413
2772 -2.9871562 -2.734665 -2.734709
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.73470898611002
variable naccept equal ${increment}
variable naccept equal 471
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.43254564840566
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.37556475725436
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2772 -2.9871562 -2.734709 -2.734709
2773 -2.9871562 -2.734709 -2.7132431
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.56200896659319
variable y0 equal ${yi}
variable y0 equal 9.2929022978577
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.60162935414736
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.37977176416248
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2773 -2.9871562 -2.734709 -2.7132431
2774 -2.9871562 -2.734709 -2.6913076
Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.56200896659319
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.2929022978577
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.8275111011613
variable y0 equal ${yi}
variable y0 equal 6.48541394011011
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.84755992213374
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.55888664261331
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2774 -2.9871562 -2.734709 -2.6913076
2775 -2.9871562 -2.734709 -2.7125244
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.8275111011613
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.48541394011011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.64033596713972
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.58126306885644
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2775 -2.9871562 -2.734709 -2.7125244
2776 -2.9871562 -2.734709 -2.6896157
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.525174053111937
variable y0 equal ${yi}
variable y0 equal 0.894475575197066
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.445164008537199
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.840904362905348
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2776 -2.9871562 -2.734709 -2.6896157
2777 -2.9871562 -2.734709 -2.7271166
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.894475575197066
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.131702781107
variable y0 equal ${yi}
variable y0 equal 8.31063791431484
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1918648365994
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.31194528259334
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2777 -2.9871562 -2.734709 -2.7271166
2778 -2.9871562 -2.734709 -2.7352559
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.73525591168888
variable naccept equal ${increment}
variable naccept equal 472
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68984863638659
variable y0 equal ${yi}
variable y0 equal 6.46641751066677
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.63268258452197
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.49439754024975
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2778 -2.9871562 -2.7352559 -2.7352559
2779 -2.9871562 -2.7352559 -2.7256954
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68984863638659
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46641751066677
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.57771970509168
variable y0 equal ${yi}
variable y0 equal 0.0528771042823788
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.67506087301847
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.0304924249649044
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2779 -2.9871562 -2.7352559 -2.7256954
2780 -2.9871562 -2.7352559 -2.6915
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.57771970509168
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0528771042823788
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.480583484569456
variable y0 equal ${yi}
variable y0 equal 8.38369611419733
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.417970784107115
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.35561866678293
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2780 -2.9871562 -2.7352559 -2.6915
2781 -2.9871562 -2.7352559 -2.7190266
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 82 x ${x0}
set atom 82 x 0.480583484569456
1 settings made for x
set atom $i y ${y0}
set atom 82 y ${y0}
set atom 82 y 8.38369611419733
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.0514173328767
variable y0 equal ${yi}
variable y0 equal 8.32951669611032
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 7.9758500873933
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.24532965339715
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2781 -2.9871562 -2.7352559 -2.7190266
2782 -2.9871562 -2.7352559 -2.6840774
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.0514173328767
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.32951669611032
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.09958864171057
variable y0 equal ${yi}
variable y0 equal 2.75573046180108
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.1820952983573
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.73509116145471
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2782 -2.9871562 -2.7352559 -2.6840774
2783 -2.9871562 -2.7352559 -2.7007479
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.09958864171057
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.75573046180108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.89040735601722
variable y0 equal ${yi}
variable y0 equal 6.45623155371179
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.85513271927177
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.43979434505929
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2783 -2.9871562 -2.7352559 -2.7007479
2784 -2.9871562 -2.7352559 -2.7315745
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.89040735601722
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.45623155371179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 43
variable x0 equal ${xi}
variable x0 equal 1.11356125195676
variable y0 equal ${yi}
variable y0 equal 3.71681254668367
set atom $i x ${xnew}
set atom 43 x ${xnew}
set atom 43 x 1.10899938662702
1 settings made for x
set atom $i y ${ynew}
set atom 43 y ${ynew}
set atom 43 y 3.63085544867647
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2784 -2.9871562 -2.7352559 -2.7315745
2785 -2.9871562 -2.7352559 -2.7190767
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 43 x ${x0}
set atom 43 x 1.11356125195676
1 settings made for x
set atom $i y ${y0}
set atom 43 y ${y0}
set atom 43 y 3.71681254668367
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.13557020186941
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y -0.0658627152442837
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2785 -2.9871562 -2.7352559 -2.7190767
2786 -2.9871562 -2.7352559 -2.7059464
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.98599239308387
variable y0 equal ${yi}
variable y0 equal 0.925951715219346
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 8.94732632357627
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 1.02147035192284
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2786 -2.9871562 -2.7352559 -2.7059464
2787 -2.9871562 -2.7352559 -2.6866
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.98599239308387
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.925951715219346
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.7038741310291
variable y0 equal ${yi}
variable y0 equal 3.65389419360293
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.7377961357288
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.60898553891314
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2787 -2.9871562 -2.7352559 -2.6866
2788 -2.9871562 -2.7352559 -2.7263513
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 10.7038741310291
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.65389419360293
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.84426377335674
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.92727882834771
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2788 -2.9871562 -2.7352559 -2.7263513
2789 -2.9871562 -2.7352559 -2.7137032
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.85977786752084
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 6.99553199091598
variable y0 equal ${yi}
variable y0 equal 8.37164120592174
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 6.97079646864578
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.44335532106456
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2789 -2.9871562 -2.7352559 -2.7137032
2790 -2.9871562 -2.7352559 -2.7301471
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.37164120592174
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 93
variable x0 equal ${xi}
variable x0 equal 6.44710795401651
variable y0 equal ${yi}
variable y0 equal 7.41837643709443
set atom $i x ${xnew}
set atom 93 x ${xnew}
set atom 93 x 6.4341935706051
1 settings made for x
set atom $i y ${ynew}
set atom 93 y ${ynew}
set atom 93 y 7.32606439914964
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2790 -2.9871562 -2.7352559 -2.7301471
2791 -2.9871562 -2.7352559 -2.7222898
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 93 x ${x0}
set atom 93 x 6.44710795401651
1 settings made for x
set atom $i y ${y0}
set atom 93 y ${y0}
set atom 93 y 7.41837643709443
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.500509889522458
variable y0 equal ${yi}
variable y0 equal 4.59161240214273
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.452163763442899
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.61642146462366
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2791 -2.9871562 -2.7352559 -2.7222898
2792 -2.9871562 -2.7352559 -2.7235199
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 42 x ${x0}
set atom 42 x 0.500509889522458
1 settings made for x
set atom $i y ${y0}
set atom 42 y ${y0}
set atom 42 y 4.59161240214273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1918648365994
variable y0 equal ${yi}
variable y0 equal 8.31194528259334
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.0957713607808
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.40702996172008
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2792 -2.9871562 -2.7352559 -2.7235199
2793 -2.9871562 -2.7352559 -2.7248013
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.1918648365994
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.31194528259334
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.67711982884829
variable y0 equal ${yi}
variable y0 equal 7.46412369337345
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.76452070632403
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.49433875408436
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2793 -2.9871562 -2.7352559 -2.7248013
2794 -2.9871562 -2.7352559 -2.6826574
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.67711982884829
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.46412369337345
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.12605889161282
variable y0 equal ${yi}
variable y0 equal 7.46482060280108
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.2093950303381
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.51538009968066
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2794 -2.9871562 -2.7352559 -2.6826574
2795 -2.9871562 -2.7352559 -2.6971251
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.12605889161282
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.46482060280108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 1.09178573210888
variable y0 equal ${yi}
variable y0 equal 5.57776011173921
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 1.16035510619335
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.48757321779924
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2795 -2.9871562 -2.7352559 -2.6971251
2796 -2.9871562 -2.7352559 -2.6888584
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 63 x ${x0}
set atom 63 x 1.09178573210888
1 settings made for x
set atom $i y ${y0}
set atom 63 y ${y0}
set atom 63 y 5.57776011173921
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 6.99553199091598
variable y0 equal ${yi}
variable y0 equal 8.37164120592174
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.02288831749603
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.46585688509044
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2796 -2.9871562 -2.7352559 -2.6888584
2797 -2.9871562 -2.7352559 -2.7160964
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.37164120592174
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.2036228899023
variable y0 equal ${yi}
variable y0 equal 4.57710585946008
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.1955955747625
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.53326931351587
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2797 -2.9871562 -2.7352559 -2.7160964
2798 -2.9871562 -2.7352559 -2.7296192
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.2036228899023
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.57710585946008
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.18122052589761
variable y0 equal ${yi}
variable y0 equal 7.43532284822726
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.21853154341089
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.44536910381579
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2798 -2.9871562 -2.7352559 -2.7296192
2799 -2.9871562 -2.7352559 -2.7338905
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.18122052589761
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.43532284822726
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.0514173328767
variable y0 equal ${yi}
variable y0 equal 8.32951669611032
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.12170733808376
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.29614760793741
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2799 -2.9871562 -2.7352559 -2.7338905
2800 -2.9871562 -2.7352559 -2.7146945
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.0514173328767
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.32951669611032
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.4515117414734
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.62000966017444
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2800 -2.9871562 -2.7352559 -2.7146945
2801 -2.9871562 -2.7352559 -2.689026
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.12605889161282
variable y0 equal ${yi}
variable y0 equal 7.46482060280108
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.05902936776333
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.53529954281115
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2801 -2.9871562 -2.7352559 -2.689026
2802 -2.9871562 -2.7352559 -2.7244811
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.12605889161282
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.46482060280108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.94641846377841
variable y0 equal ${yi}
variable y0 equal 4.67712874764368
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 6.03995888192645
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.75960318201944
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2802 -2.9871562 -2.7352559 -2.7244811
2803 -2.9871562 -2.7352559 -2.6823193
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.94641846377841
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.67712874764368
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72890197554714
variable y0 equal ${yi}
variable y0 equal 1.0604893166903
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.73698945561535
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.07722431014809
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2803 -2.9871562 -2.7352559 -2.6823193
2804 -2.9871562 -2.7352559 -2.7313159
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72890197554714
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.0604893166903
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.67711982884829
variable y0 equal ${yi}
variable y0 equal 7.46412369337345
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.71516447225039
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.52710440483356
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2804 -2.9871562 -2.7352559 -2.7313159
2805 -2.9871562 -2.7352559 -2.6938042
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.67711982884829
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.46412369337345
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.92057361244498
variable y0 equal ${yi}
variable y0 equal 4.60940848940775
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 5.01971554397879
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.65980476492807
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2805 -2.9871562 -2.7352559 -2.6938042
2806 -2.9871562 -2.7352559 -2.6812868
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.92057361244498
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.60940848940775
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 86
variable x0 equal ${xi}
variable x0 equal 2.71264111001922
variable y0 equal ${yi}
variable y0 equal 8.37165092147884
set atom $i x ${xnew}
set atom 86 x ${xnew}
set atom 86 x 2.81154446800186
1 settings made for x
set atom $i y ${ynew}
set atom 86 y ${ynew}
set atom 86 y 8.29976930536327
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2806 -2.9871562 -2.7352559 -2.6812868
2807 -2.9871562 -2.7352559 -2.7039371
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 86 x ${x0}
set atom 86 x 2.71264111001922
1 settings made for x
set atom $i y ${y0}
set atom 86 y ${y0}
set atom 86 y 8.37165092147884
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.17698586899788
variable y0 equal ${yi}
variable y0 equal 4.70937407368584
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.08188451249153
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.65171871537133
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2807 -2.9871562 -2.7352559 -2.7039371
2808 -2.9871562 -2.7352559 -2.7247428
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.17698586899788
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.70937407368584
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1299801353476
variable y0 equal ${yi}
variable y0 equal 2.75316406461099
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1996854070685
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.67875312539438
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2808 -2.9871562 -2.7352559 -2.7247428
2809 -2.9871562 -2.7352559 -2.7250791
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1299801353476
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.75316406461099
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54984512486879
variable y0 equal ${yi}
variable y0 equal 3.69442252679001
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.48512354054872
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.6499803261293
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2809 -2.9871562 -2.7352559 -2.7250791
2810 -2.9871562 -2.7352559 -2.7140352
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.54984512486879
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.69442252679001
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 41
variable x0 equal ${xi}
variable x0 equal 10.7038741310291
variable y0 equal ${yi}
variable y0 equal 3.65389419360293
set atom $i x ${xnew}
set atom 41 x ${xnew}
set atom 41 x 10.6870362599544
1 settings made for x
set atom $i y ${ynew}
set atom 41 y ${ynew}
set atom 41 y 3.66455660624636
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2810 -2.9871562 -2.7352559 -2.7140352
2811 -2.9871562 -2.7352559 -2.7346401
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 41 x ${x0}
set atom 41 x 10.7038741310291
1 settings made for x
set atom $i y ${y0}
set atom 41 y ${y0}
set atom 41 y 3.65389419360293
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.42402232089902
variable y0 equal ${yi}
variable y0 equal 3.68856803937089
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.50663917461301
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.6222579674257
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2811 -2.9871562 -2.7352559 -2.7346401
2812 -2.9871562 -2.7352559 -2.6799913
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.42402232089902
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.68856803937089
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 6.99553199091598
variable y0 equal ${yi}
variable y0 equal 8.37164120592174
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.0386260298793
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.4339986554533
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2812 -2.9871562 -2.7352559 -2.6799913
2813 -2.9871562 -2.7352559 -2.7215537
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.37164120592174
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0322040319442937
variable y0 equal ${yi}
variable y0 equal 7.38692112293505
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 0.0660421609878728
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.30087215032839
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2813 -2.9871562 -2.7352559 -2.7215537
2814 -2.9871562 -2.7352559 -2.7146773
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.38692112293505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.0613916098962
variable y0 equal ${yi}
variable y0 equal 6.54508387581339
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 7.98766930698253
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.63608115450373
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2814 -2.9871562 -2.7352559 -2.7146773
2815 -2.9871562 -2.7352559 -2.6847716
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.0613916098962
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.54508387581339
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.01815503238536
variable y0 equal ${yi}
variable y0 equal 2.72729808064798
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.06178798078395
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.74185490580896
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2815 -2.9871562 -2.7352559 -2.6847716
2816 -2.9871562 -2.7352559 -2.7346192
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.73461922654459
variable naccept equal ${increment}
variable naccept equal 473
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.06178798078395
variable y0 equal ${yi}
variable y0 equal 2.74185490580896
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.02489237188197
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.70884422036508
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2816 -2.9871562 -2.7346192 -2.7346192
2817 -2.9871562 -2.7346192 -2.7313252
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2496.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.06178798078395
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.74185490580896
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.59829139590045
variable y0 equal ${yi}
variable y0 equal 2.77385951253275
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.68548083185931
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.82375657531122
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2817 -2.9871562 -2.7346192 -2.7313252
2818 -2.9871562 -2.7346192 -2.719074
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.59829139590045
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.77385951253275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.53527552921544
variable y0 equal ${yi}
variable y0 equal 3.71127284331453
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.59062093336354
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.67420799298418
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2818 -2.9871562 -2.7346192 -2.719074
2819 -2.9871562 -2.7346192 -2.7164654
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.53527552921544
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.71127284331453
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.18588270902197
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 0.037761545181284
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2819 -2.9871562 -2.7346192 -2.7164654
2820 -2.9871562 -2.7346192 -2.7305204
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.2013416862444
variable y0 equal ${yi}
variable y0 equal 1.98039417645997
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.10281997680226
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.95739068172044
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2820 -2.9871562 -2.7346192 -2.7305204
2821 -2.9871562 -2.7346192 -2.6993644
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.2013416862444
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.98039417645997
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.26825663804569
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.65152992768419
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2821 -2.9871562 -2.7346192 -2.6993644
2822 -2.9871562 -2.7346192 -2.7123427
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2496.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 74
variable x0 equal ${xi}
variable x0 equal 7.04742242375061
variable y0 equal ${yi}
variable y0 equal 6.46128811375131
set atom $i x ${xnew}
set atom 74 x ${xnew}
set atom 74 x 7.09703001061127
1 settings made for x
set atom $i y ${ynew}
set atom 74 y ${ynew}
set atom 74 y 6.49502869383325
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2822 -2.9871562 -2.7346192 -2.7123427
2823 -2.9871562 -2.7346192 -2.7211091
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 74 x ${x0}
set atom 74 x 7.04742242375061
1 settings made for x
set atom $i y ${y0}
set atom 74 y ${y0}
set atom 74 y 6.46128811375131
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.92057361244498
variable y0 equal ${yi}
variable y0 equal 4.60940848940775
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.83780635237036
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.52375934475824
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2823 -2.9871562 -2.7346192 -2.7211091
2824 -2.9871562 -2.7346192 -2.6808256
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.92057361244498
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.60940848940775
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.654104717174436
variable y0 equal ${yi}
variable y0 equal 6.49111358658304
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.68080179254141
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.46343442932596
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2824 -2.9871562 -2.7346192 -2.6808256
2825 -2.9871562 -2.7346192 -2.7215052
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.654104717174436
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.49111358658304
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.0613916098962
variable y0 equal ${yi}
variable y0 equal 6.54508387581339
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.10630074142315
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.60853179232111
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2825 -2.9871562 -2.7346192 -2.7215052
2826 -2.9871562 -2.7346192 -2.7317584
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.0613916098962
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.54508387581339
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72890197554714
variable y0 equal ${yi}
variable y0 equal 1.0604893166903
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.8149127415765
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.08133778165612
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2826 -2.9871562 -2.7346192 -2.7317584
2827 -2.9871562 -2.7346192 -2.7060666
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72890197554714
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.0604893166903
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 82
variable x0 equal ${xi}
variable x0 equal 0.480583484569456
variable y0 equal ${yi}
variable y0 equal 8.38369611419733
set atom $i x ${xnew}
set atom 82 x ${xnew}
set atom 82 x 0.537129850784208
1 settings made for x
set atom $i y ${ynew}
set atom 82 y ${ynew}
set atom 82 y 8.37846516288812
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2827 -2.9871562 -2.7346192 -2.7060666
2828 -2.9871562 -2.7346192 -2.7350283
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.7350282884753
variable naccept equal ${increment}
variable naccept equal 474
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.39948711791899
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.51152824108797
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2828 -2.9871562 -2.7350283 -2.7350283
2829 -2.9871562 -2.7350283 -2.7282
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 95
variable x0 equal ${xi}
variable x0 equal 7.50331240732442
variable y0 equal ${yi}
variable y0 equal 7.44483136263156
set atom $i x ${xnew}
set atom 95 x ${xnew}
set atom 95 x 7.40449626285802
1 settings made for x
set atom $i y ${ynew}
set atom 95 y ${ynew}
set atom 95 y 7.43731093731189
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2829 -2.9871562 -2.7350283 -2.7282
2830 -2.9871562 -2.7350283 -2.707295
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 95 x ${x0}
set atom 95 x 7.50331240732442
1 settings made for x
set atom $i y ${y0}
set atom 95 y ${y0}
set atom 95 y 7.44483136263156
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.525174053111937
variable y0 equal ${yi}
variable y0 equal 0.894475575197066
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.46293288032141
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.869073136556472
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2830 -2.9871562 -2.7350283 -2.707295
2831 -2.9871562 -2.7350283 -2.7324608
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.894475575197066
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.27537042538034
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.5052621597548
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2831 -2.9871562 -2.7350283 -2.7324608
2832 -2.9871562 -2.7350283 -2.709815
Loop time of 3.69549e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.23979663292276
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.5713402385016
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.88060106316253
variable y0 equal ${yi}
variable y0 equal 0.960105260122139
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.89575364866897
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.996047552335579
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2832 -2.9871562 -2.7350283 -2.709815
2833 -2.9871562 -2.7350283 -2.7303977
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.88060106316253
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.960105260122139
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.57288145302412
variable y0 equal ${yi}
variable y0 equal 3.68945432467593
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.58383195875761
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.69770476384295
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2833 -2.9871562 -2.7350283 -2.7303977
2834 -2.9871562 -2.7350283 -2.7369839
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.73698390052081
variable naccept equal ${increment}
variable naccept equal 475
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 64
variable x0 equal ${xi}
variable x0 equal 1.68984863638659
variable y0 equal ${yi}
variable y0 equal 6.46641751066677
set atom $i x ${xnew}
set atom 64 x ${xnew}
set atom 64 x 1.610764287708
1 settings made for x
set atom $i y ${ynew}
set atom 64 y ${ynew}
set atom 64 y 6.56570050255291
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2834 -2.9871562 -2.7369839 -2.7369839
2835 -2.9871562 -2.7369839 -2.7116293
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 64 x ${x0}
set atom 64 x 1.68984863638659
1 settings made for x
set atom $i y ${y0}
set atom 64 y ${y0}
set atom 64 y 6.46641751066677
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 50
variable x0 equal ${xi}
variable x0 equal 4.92057361244498
variable y0 equal ${yi}
variable y0 equal 4.60940848940775
set atom $i x ${xnew}
set atom 50 x ${xnew}
set atom 50 x 4.90417986749945
1 settings made for x
set atom $i y ${ynew}
set atom 50 y ${ynew}
set atom 50 y 4.54816781634256
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2835 -2.9871562 -2.7369839 -2.7116293
2836 -2.9871562 -2.7369839 -2.7205293
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 50 x ${x0}
set atom 50 x 4.92057361244498
1 settings made for x
set atom $i y ${y0}
set atom 50 y ${y0}
set atom 50 y 4.60940848940775
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.67711982884829
variable y0 equal ${yi}
variable y0 equal 7.46412369337345
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.77481959023898
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.4096861990955
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2836 -2.9871562 -2.7369839 -2.7205293
2837 -2.9871562 -2.7369839 -2.6814752
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.67711982884829
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.46412369337345
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.16185431241552
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 0.117824912071238
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2837 -2.9871562 -2.7369839 -2.6814752
2838 -2.9871562 -2.7369839 -2.695527
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 70
variable x0 equal ${xi}
variable x0 equal 4.89040735601722
variable y0 equal ${yi}
variable y0 equal 6.45623155371179
set atom $i x ${xnew}
set atom 70 x ${xnew}
set atom 70 x 4.94040522217094
1 settings made for x
set atom $i y ${ynew}
set atom 70 y ${ynew}
set atom 70 y 6.48322245613565
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2838 -2.9871562 -2.7369839 -2.695527
2839 -2.9871562 -2.7369839 -2.730715
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 70 x ${x0}
set atom 70 x 4.89040735601722
1 settings made for x
set atom $i y ${y0}
set atom 70 y ${y0}
set atom 70 y 6.45623155371179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 8
variable x0 equal ${xi}
variable x0 equal 3.72890197554714
variable y0 equal ${yi}
variable y0 equal 1.0604893166903
set atom $i x ${xnew}
set atom 8 x ${xnew}
set atom 8 x 3.78174237528927
1 settings made for x
set atom $i y ${ynew}
set atom 8 y ${ynew}
set atom 8 y 1.05088165591988
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2839 -2.9871562 -2.7369839 -2.730715
2840 -2.9871562 -2.7369839 -2.7308492
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 8 x ${x0}
set atom 8 x 3.72890197554714
1 settings made for x
set atom $i y ${y0}
set atom 8 y ${y0}
set atom 8 y 1.0604893166903
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.40679665882798
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.45198582356173
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2840 -2.9871562 -2.7369839 -2.7308492
2841 -2.9871562 -2.7369839 -2.7162429
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.2036228899023
variable y0 equal ${yi}
variable y0 equal 4.57710585946008
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.1387429002783
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.62850686663553
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2841 -2.9871562 -2.7369839 -2.7162429
2842 -2.9871562 -2.7369839 -2.7255773
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.2036228899023
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.57710585946008
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 19
variable x0 equal ${xi}
variable x0 equal 9.57771970509168
variable y0 equal ${yi}
variable y0 equal 0.0528771042823788
set atom $i x ${xnew}
set atom 19 x ${xnew}
set atom 19 x 9.54838641165372
1 settings made for x
set atom $i y ${ynew}
set atom 19 y ${ynew}
set atom 19 y 0.0355846643447872
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2842 -2.9871562 -2.7369839 -2.7255773
2843 -2.9871562 -2.7369839 -2.7337954
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 19 x ${x0}
set atom 19 x 9.57771970509168
1 settings made for x
set atom $i y ${y0}
set atom 19 y ${y0}
set atom 19 y 0.0528771042823788
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 51
variable x0 equal ${xi}
variable x0 equal 5.42402232089902
variable y0 equal ${yi}
variable y0 equal 3.68856803937089
set atom $i x ${xnew}
set atom 51 x ${xnew}
set atom 51 x 5.50094499984647
1 settings made for x
set atom $i y ${ynew}
set atom 51 y ${ynew}
set atom 51 y 3.70379789633882
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2843 -2.9871562 -2.7369839 -2.7337954
2844 -2.9871562 -2.7369839 -2.7217469
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 51 x ${x0}
set atom 51 x 5.42402232089902
1 settings made for x
set atom $i y ${y0}
set atom 51 y ${y0}
set atom 51 y 3.68856803937089
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.29802477120916
variable y0 equal ${yi}
variable y0 equal 5.57190024798112
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.29679337501089
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.53923573439317
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2844 -2.9871562 -2.7369839 -2.7217469
2845 -2.9871562 -2.7369839 -2.7341621
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.29802477120916
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.57190024798112
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.00678724327727
variable y0 equal ${yi}
variable y0 equal 4.66030267828866
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 6.91450741568251
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.57411599511071
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2845 -2.9871562 -2.7369839 -2.7341621
2846 -2.9871562 -2.7369839 -2.6721286
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.00678724327727
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.66030267828866
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78350791255122
variable y0 equal ${yi}
variable y0 equal 8.3979895225912
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.86914359847194
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.33906223691996
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2846 -2.9871562 -2.7369839 -2.6721286
2847 -2.9871562 -2.7369839 -2.7131516
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78350791255122
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.3979895225912
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.26241013447152
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.80661555907792
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2847 -2.9871562 -2.7369839 -2.7131516
2848 -2.9871562 -2.7369839 -2.7004526
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 47
variable x0 equal ${xi}
variable x0 equal 3.24420675992527
variable y0 equal ${yi}
variable y0 equal 3.73567457957399
set atom $i x ${xnew}
set atom 47 x ${xnew}
set atom 47 x 3.25998548030415
1 settings made for x
set atom $i y ${ynew}
set atom 47 y ${ynew}
set atom 47 y 3.65852319760454
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2848 -2.9871562 -2.7369839 -2.7004526
2849 -2.9871562 -2.7369839 -2.7190751
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 47 x ${x0}
set atom 47 x 3.24420675992527
1 settings made for x
set atom $i y ${y0}
set atom 47 y ${y0}
set atom 47 y 3.73567457957399
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87285548408023
variable y0 equal ${yi}
variable y0 equal 8.36937119878825
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.92915312011233
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.29872080005702
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2849 -2.9871562 -2.7369839 -2.7190751
2850 -2.9871562 -2.7369839 -2.7308957
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.36937119878825
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.30746670165922
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y -0.0753229856491114
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2850 -2.9871562 -2.7369839 -2.7308957
2851 -2.9871562 -2.7369839 -2.7212526
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.64269758343478
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.72210311049386
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2851 -2.9871562 -2.7369839 -2.7212526
2852 -2.9871562 -2.7369839 -2.7334065
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.67711982884829
variable y0 equal ${yi}
variable y0 equal 7.46412369337345
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.63672733464663
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.39708643284107
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2852 -2.9871562 -2.7369839 -2.7334065
2853 -2.9871562 -2.7369839 -2.7401168
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.74011682652662
variable naccept equal ${increment}
variable naccept equal 476
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.77466896096354
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.64943774098322
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2853 -2.9871562 -2.7401168 -2.7401168
2854 -2.9871562 -2.7401168 -2.736625
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.56200896659319
variable y0 equal ${yi}
variable y0 equal 9.2929022978577
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.46673603215639
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.29884129274219
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2854 -2.9871562 -2.7401168 -2.736625
2855 -2.9871562 -2.7401168 -2.7276947
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.56200896659319
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.2929022978577
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 4
variable x0 equal ${xi}
variable x0 equal 1.6009168970563
variable y0 equal ${yi}
variable y0 equal 0.937610264528124
set atom $i x ${xnew}
set atom 4 x ${xnew}
set atom 4 x 1.56662630915423
1 settings made for x
set atom $i y ${ynew}
set atom 4 y ${ynew}
set atom 4 y 0.974897797811358
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2855 -2.9871562 -2.7401168 -2.7276947
2856 -2.9871562 -2.7401168 -2.7323997
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 4 x ${x0}
set atom 4 x 1.6009168970563
1 settings made for x
set atom $i y ${y0}
set atom 4 y ${y0}
set atom 4 y 0.937610264528124
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.92274221459076
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.88717529746392
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2856 -2.9871562 -2.7401168 -2.7323997
2857 -2.9871562 -2.7401168 -2.7211837
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.56200896659319
variable y0 equal ${yi}
variable y0 equal 9.2929022978577
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.51028349557344
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.24977608430713
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2857 -2.9871562 -2.7401168 -2.7211837
2858 -2.9871562 -2.7401168 -2.7380442
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.56200896659319
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.2929022978577
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 6.99553199091598
variable y0 equal ${yi}
variable y0 equal 8.37164120592174
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.01552354374572
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.46766078390178
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2858 -2.9871562 -2.7401168 -2.7380442
2859 -2.9871562 -2.7401168 -2.7220239
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.37164120592174
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.65179307659102
variable y0 equal ${yi}
variable y0 equal 2.85066882344583
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.6060112257762
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.81676659556726
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2859 -2.9871562 -2.7401168 -2.7220239
2860 -2.9871562 -2.7401168 -2.733221
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.65179307659102
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.85066882344583
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.29802477120916
variable y0 equal ${yi}
variable y0 equal 5.57190024798112
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.37616592406789
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.49137874787049
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2860 -2.9871562 -2.7401168 -2.733221
2861 -2.9871562 -2.7401168 -2.705455
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.29802477120916
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.57190024798112
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 7
variable x0 equal ${xi}
variable x0 equal 3.22492432355444
variable y0 equal ${yi}
variable y0 equal 0.0240613460540867
set atom $i x ${xnew}
set atom 7 x ${xnew}
set atom 7 x 3.26789675712149
1 settings made for x
set atom $i y ${ynew}
set atom 7 y ${ynew}
set atom 7 y 0.0533625006675816
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2861 -2.9871562 -2.7401168 -2.705455
2862 -2.9871562 -2.7401168 -2.7349808
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 7 x ${x0}
set atom 7 x 3.22492432355444
1 settings made for x
set atom $i y ${y0}
set atom 7 y ${y0}
set atom 7 y 0.0240613460540867
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 12
variable x0 equal ${xi}
variable x0 equal 5.84254707057468
variable y0 equal ${yi}
variable y0 equal 0.912364717233509
set atom $i x ${xnew}
set atom 12 x ${xnew}
set atom 12 x 5.93246039111606
1 settings made for x
set atom $i y ${ynew}
set atom 12 y ${ynew}
set atom 12 y 0.894930155980915
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2862 -2.9871562 -2.7401168 -2.7349808
2863 -2.9871562 -2.7401168 -2.7116075
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 12 x ${x0}
set atom 12 x 5.84254707057468
1 settings made for x
set atom $i y ${y0}
set atom 12 y ${y0}
set atom 12 y 0.912364717233509
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 61
variable x0 equal ${xi}
variable x0 equal 10.7244650800877
variable y0 equal ${yi}
variable y0 equal 5.51692237799363
set atom $i x ${xnew}
set atom 61 x ${xnew}
set atom 61 x 10.7227787812405
1 settings made for x
set atom $i y ${ynew}
set atom 61 y ${ynew}
set atom 61 y 5.47880016510682
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2863 -2.9871562 -2.7401168 -2.7116075
2864 -2.9871562 -2.7401168 -2.7364812
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 61 x ${x0}
set atom 61 x 10.7244650800877
1 settings made for x
set atom $i y ${y0}
set atom 61 y ${y0}
set atom 61 y 5.51692237799363
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.72922425150652
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.44964396871623
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2864 -2.9871562 -2.7401168 -2.7364812
2865 -2.9871562 -2.7401168 -2.6957987
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 1.09178573210888
variable y0 equal ${yi}
variable y0 equal 5.57776011173921
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 1.16747178157024
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.59250082915025
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2865 -2.9871562 -2.7401168 -2.6957987
2866 -2.9871562 -2.7401168 -2.7317774
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 63 x ${x0}
set atom 63 x 1.09178573210888
1 settings made for x
set atom $i y ${y0}
set atom 63 y ${y0}
set atom 63 y 5.57776011173921
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.5878455599004
variable y0 equal ${yi}
variable y0 equal 9.28117802846759
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.619244964903
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.30595166194766
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2866 -2.9871562 -2.7401168 -2.7317774
2867 -2.9871562 -2.7401168 -2.7460178
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.74601780987061
variable naccept equal ${increment}
variable naccept equal 477
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78350791255122
variable y0 equal ${yi}
variable y0 equal 8.3979895225912
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.85208652535563
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.46978365100917
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2867 -2.9871562 -2.7460178 -2.7460178
2868 -2.9871562 -2.7460178 -2.6987517
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78350791255122
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.3979895225912
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 88
variable x0 equal ${xi}
variable x0 equal 3.78350791255122
variable y0 equal ${yi}
variable y0 equal 8.3979895225912
set atom $i x ${xnew}
set atom 88 x ${xnew}
set atom 88 x 3.87894938508159
1 settings made for x
set atom $i y ${ynew}
set atom 88 y ${ynew}
set atom 88 y 8.38299249328669
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2868 -2.9871562 -2.7460178 -2.6987517
2869 -2.9871562 -2.7460178 -2.7121404
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 88 x ${x0}
set atom 88 x 3.78350791255122
1 settings made for x
set atom $i y ${y0}
set atom 88 y ${y0}
set atom 88 y 8.3979895225912
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.53527552921544
variable y0 equal ${yi}
variable y0 equal 3.71127284331453
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.57565765220891
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.77771908803117
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2869 -2.9871562 -2.7460178 -2.7121404
2870 -2.9871562 -2.7460178 -2.7351062
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.53527552921544
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.71127284331453
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 37
variable x0 equal ${xi}
variable x0 equal 8.51648090043489
variable y0 equal ${yi}
variable y0 equal 1.84042694947785
set atom $i x ${xnew}
set atom 37 x ${xnew}
set atom 37 x 8.50988233247224
1 settings made for x
set atom $i y ${ynew}
set atom 37 y ${ynew}
set atom 37 y 1.9197782315976
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2870 -2.9871562 -2.7460178 -2.7351062
2871 -2.9871562 -2.7460178 -2.7173325
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 37 x ${x0}
set atom 37 x 8.51648090043489
1 settings made for x
set atom $i y ${y0}
set atom 37 y ${y0}
set atom 37 y 1.84042694947785
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.92034897763721
variable y0 equal ${yi}
variable y0 equal 2.80042437287667
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.8285017486333
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.83328481885293
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2871 -2.9871562 -2.7460178 -2.7173325
2872 -2.9871562 -2.7460178 -2.7191916
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.92034897763721
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.80042437287667
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.75732945719845
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.76425763341287
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2872 -2.9871562 -2.7460178 -2.7191916
2873 -2.9871562 -2.7460178 -2.7194484
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.85977786752084
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.88060106316253
variable y0 equal ${yi}
variable y0 equal 0.960105260122139
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.83639247694656
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.92730747054847
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2873 -2.9871562 -2.7460178 -2.7194484
2874 -2.9871562 -2.7460178 -2.73703
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.88060106316253
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.960105260122139
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.37311956961365
variable y0 equal ${yi}
variable y0 equal 3.73546738190782
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.33536183912964
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.65623250765932
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2874 -2.9871562 -2.7460178 -2.73703
2875 -2.9871562 -2.7460178 -2.7230851
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.37311956961365
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.73546738190782
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.0514173328767
variable y0 equal ${yi}
variable y0 equal 8.32951669611032
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.10657473205425
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.34698636449869
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2875 -2.9871562 -2.7460178 -2.7230851
2876 -2.9871562 -2.7460178 -2.7383096
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.0514173328767
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.32951669611032
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 59
variable x0 equal ${xi}
variable x0 equal 9.58383195875761
variable y0 equal ${yi}
variable y0 equal 3.69770476384295
set atom $i x ${xnew}
set atom 59 x ${xnew}
set atom 59 x 9.52548602102873
1 settings made for x
set atom $i y ${ynew}
set atom 59 y ${ynew}
set atom 59 y 3.73298260731829
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2876 -2.9871562 -2.7460178 -2.7383096
2877 -2.9871562 -2.7460178 -2.7299668
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 59 x ${x0}
set atom 59 x 9.58383195875761
1 settings made for x
set atom $i y ${y0}
set atom 59 y ${y0}
set atom 59 y 3.69770476384295
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 58
variable x0 equal ${xi}
variable x0 equal 9.17698586899788
variable y0 equal ${yi}
variable y0 equal 4.70937407368584
set atom $i x ${xnew}
set atom 58 x ${xnew}
set atom 58 x 9.2417974324897
1 settings made for x
set atom $i y ${ynew}
set atom 58 y ${ynew}
set atom 58 y 4.69672087782784
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2877 -2.9871562 -2.7460178 -2.7299668
2878 -2.9871562 -2.7460178 -2.72773
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 58 x ${x0}
set atom 58 x 9.17698586899788
1 settings made for x
set atom $i y ${y0}
set atom 58 y ${y0}
set atom 58 y 4.70937407368584
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 77
variable x0 equal ${xi}
variable x0 equal 8.60149228730623
variable y0 equal ${yi}
variable y0 equal 5.64612317030626
set atom $i x ${xnew}
set atom 77 x ${xnew}
set atom 77 x 8.57114582219545
1 settings made for x
set atom $i y ${ynew}
set atom 77 y ${ynew}
set atom 77 y 5.58310202305513
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2878 -2.9871562 -2.7460178 -2.72773
2879 -2.9871562 -2.7460178 -2.7450882
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.74508824593695
variable naccept equal ${increment}
variable naccept equal 478
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.75945490796997
variable y0 equal ${yi}
variable y0 equal 6.47566335932247
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.70507153470947
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.43717952505581
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2879 -2.9871562 -2.7450882 -2.7450882
2880 -2.9871562 -2.7450882 -2.7292223
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.75945490796997
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.47566335932247
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1918648365994
variable y0 equal ${yi}
variable y0 equal 8.31194528259334
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1914764288922
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.26480926193294
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2880 -2.9871562 -2.7450882 -2.7292223
2881 -2.9871562 -2.7450882 -2.7371463
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.1918648365994
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.31194528259334
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 35
variable x0 equal ${xi}
variable x0 equal 7.41105691034568
variable y0 equal ${yi}
variable y0 equal 1.86285059831208
set atom $i x ${xnew}
set atom 35 x ${xnew}
set atom 35 x 7.34556621153129
1 settings made for x
set atom $i y ${ynew}
set atom 35 y ${ynew}
set atom 35 y 1.93229205987519
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2881 -2.9871562 -2.7450882 -2.7371463
2882 -2.9871562 -2.7450882 -2.7182457
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 35 x ${x0}
set atom 35 x 7.41105691034568
1 settings made for x
set atom $i y ${y0}
set atom 35 y ${y0}
set atom 35 y 1.86285059831208
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31596373716261
variable y0 equal ${yi}
variable y0 equal 1.83819601914949
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.36107815900709
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.82045663974351
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2882 -2.9871562 -2.7450882 -2.7182457
2883 -2.9871562 -2.7450882 -2.7391164
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31596373716261
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.83819601914949
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 60
variable x0 equal ${xi}
variable x0 equal 10.2036228899023
variable y0 equal ${yi}
variable y0 equal 4.57710585946008
set atom $i x ${xnew}
set atom 60 x ${xnew}
set atom 60 x 10.2488846186659
1 settings made for x
set atom $i y ${ynew}
set atom 60 y ${ynew}
set atom 60 y 4.49544091576501
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2883 -2.9871562 -2.7450882 -2.7391164
2884 -2.9871562 -2.7450882 -2.7150861
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 60 x ${x0}
set atom 60 x 10.2036228899023
1 settings made for x
set atom $i y ${y0}
set atom 60 y ${y0}
set atom 60 y 4.57710585946008
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0322040319442937
variable y0 equal ${yi}
variable y0 equal 7.38692112293505
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 0.0871964335441777
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.46553445186877
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2884 -2.9871562 -2.7450882 -2.7150861
2885 -2.9871562 -2.7450882 -2.7389102
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.38692112293505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.654104717174436
variable y0 equal ${yi}
variable y0 equal 6.49111358658304
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.647362239757444
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.49172300831308
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2885 -2.9871562 -2.7450882 -2.7389102
2886 -2.9871562 -2.7450882 -2.7463865
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.74638648884633
variable naccept equal ${increment}
variable naccept equal 479
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 100
variable x0 equal ${xi}
variable x0 equal 10.1918648365994
variable y0 equal ${yi}
variable y0 equal 8.31194528259334
set atom $i x ${xnew}
set atom 100 x ${xnew}
set atom 100 x 10.1316761855145
1 settings made for x
set atom $i y ${ynew}
set atom 100 y ${ynew}
set atom 100 y 8.39167008318004
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2886 -2.9871562 -2.7463865 -2.7463865
2887 -2.9871562 -2.7463865 -2.7428415
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 100 x ${x0}
set atom 100 x 10.1918648365994
1 settings made for x
set atom $i y ${y0}
set atom 100 y ${y0}
set atom 100 y 8.31194528259334
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31596373716261
variable y0 equal ${yi}
variable y0 equal 1.83819601914949
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.28429228464033
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.78084020993776
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2887 -2.9871562 -2.7463865 -2.7428415
2888 -2.9871562 -2.7463865 -2.7349875
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31596373716261
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.83819601914949
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.53527552921544
variable y0 equal ${yi}
variable y0 equal 3.71127284331453
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.57544324238072
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.68846340937746
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2888 -2.9871562 -2.7463865 -2.7349875
2889 -2.9871562 -2.7463865 -2.7365256
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.53527552921544
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.71127284331453
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.37924490053864
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.38926897373461
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2889 -2.9871562 -2.7463865 -2.7365256
2890 -2.9871562 -2.7463865 -2.7376317
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.13902074734077
variable y0 equal ${yi}
variable y0 equal 9.29444277990191
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.18382800260887
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.23138658511965
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2890 -2.9871562 -2.7463865 -2.7376317
2891 -2.9871562 -2.7463865 -2.7330712
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.13902074734077
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 9.29444277990191
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.27178276856155
variable y0 equal ${yi}
variable y0 equal 0.00600513219834582
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.20846890289993
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y -0.0873478889465211
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2891 -2.9871562 -2.7463865 -2.7330712
2892 -2.9871562 -2.7463865 -2.6922293
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 9 x ${x0}
set atom 9 x 4.27178276856155
1 settings made for x
set atom $i y ${y0}
set atom 9 y ${y0}
set atom 9 y 0.00600513219834582
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.58529851317187
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.70976494902536
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2892 -2.9871562 -2.7463865 -2.6922293
2893 -2.9871562 -2.7463865 -2.7416324
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 1.02897904236965
variable y0 equal ${yi}
variable y0 equal 9.27259716499179
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 0.991186252433584
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.23895915258258
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2893 -2.9871562 -2.7463865 -2.7416324
2894 -2.9871562 -2.7463865 -2.734163
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 3 x ${x0}
set atom 3 x 1.02897904236965
1 settings made for x
set atom $i y ${y0}
set atom 3 y ${y0}
set atom 3 y 9.27259716499179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.23979663292276
variable y0 equal ${yi}
variable y0 equal 5.5713402385016
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.16303541103708
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.55003341381746
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2894 -2.9871562 -2.7463865 -2.734163
2895 -2.9871562 -2.7463865 -2.7477109
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.74771086926314
variable naccept equal ${increment}
variable naccept equal 480
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.65179307659102
variable y0 equal ${yi}
variable y0 equal 2.85066882344583
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.58917147119475
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.86258337470392
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2895 -2.9871562 -2.7477109 -2.7477109
2896 -2.9871562 -2.7477109 -2.7342558
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.65179307659102
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.85066882344583
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 34
variable x0 equal ${xi}
variable x0 equal 6.98549635687515
variable y0 equal ${yi}
variable y0 equal 2.82734158011773
set atom $i x ${xnew}
set atom 34 x ${xnew}
set atom 34 x 6.95474745312378
1 settings made for x
set atom $i y ${ynew}
set atom 34 y ${ynew}
set atom 34 y 2.88480740758279
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2896 -2.9871562 -2.7477109 -2.7342558
2897 -2.9871562 -2.7477109 -2.7356341
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 34 x ${x0}
set atom 34 x 6.98549635687515
1 settings made for x
set atom $i y ${y0}
set atom 34 y ${y0}
set atom 34 y 2.82734158011773
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 7.99898086189128
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 1.02304260324272
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2897 -2.9871562 -2.7477109 -2.7356341
2898 -2.9871562 -2.7477109 -2.7211955
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 94
variable x0 equal ${xi}
variable x0 equal 6.99553199091598
variable y0 equal ${yi}
variable y0 equal 8.37164120592174
set atom $i x ${xnew}
set atom 94 x ${xnew}
set atom 94 x 7.08363352099105
1 settings made for x
set atom $i y ${ynew}
set atom 94 y ${ynew}
set atom 94 y 8.44633307375011
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2898 -2.9871562 -2.7477109 -2.7211955
2899 -2.9871562 -2.7477109 -2.7106872
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 94 x ${x0}
set atom 94 x 6.99553199091598
1 settings made for x
set atom $i y ${y0}
set atom 94 y ${y0}
set atom 94 y 8.37164120592174
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 11
variable x0 equal ${xi}
variable x0 equal 5.31181888976957
variable y0 equal ${yi}
variable y0 equal 0.00601137876510371
set atom $i x ${xnew}
set atom 11 x ${xnew}
set atom 11 x 5.38708724180128
1 settings made for x
set atom $i y ${ynew}
set atom 11 y ${ynew}
set atom 11 y 0.0852705717086767
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2899 -2.9871562 -2.7477109 -2.7106872
2900 -2.9871562 -2.7477109 -2.7150233
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 11 x ${x0}
set atom 11 x 5.31181888976957
1 settings made for x
set atom $i y ${y0}
set atom 11 y ${y0}
set atom 11 y 0.00601137876510371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 56
variable x0 equal ${xi}
variable x0 equal 8.10495061277249
variable y0 equal ${yi}
variable y0 equal 4.66507560366557
set atom $i x ${xnew}
set atom 56 x ${xnew}
set atom 56 x 8.11024232505658
1 settings made for x
set atom $i y ${ynew}
set atom 56 y ${ynew}
set atom 56 y 4.63128328675197
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2900 -2.9871562 -2.7477109 -2.7150233
2901 -2.9871562 -2.7477109 -2.7477588
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2496.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.74775879703239
variable naccept equal ${increment}
variable naccept equal 481
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.2088931449196
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.9405924715764
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2901 -2.9871562 -2.7477588 -2.7477588
2902 -2.9871562 -2.7477588 -2.7360019
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.2013416862444
variable y0 equal ${yi}
variable y0 equal 1.98039417645997
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.29144809007207
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.93175527236527
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2902 -2.9871562 -2.7477588 -2.7360019
2903 -2.9871562 -2.7477588 -2.724217
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.2013416862444
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.98039417645997
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 48
variable x0 equal ${xi}
variable x0 equal 3.80759401837473
variable y0 equal ${yi}
variable y0 equal 4.6440585290806
set atom $i x ${xnew}
set atom 48 x ${xnew}
set atom 48 x 3.75519778052454
1 settings made for x
set atom $i y ${ynew}
set atom 48 y ${ynew}
set atom 48 y 4.67849964255258
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2903 -2.9871562 -2.7477588 -2.724217
2904 -2.9871562 -2.7477588 -2.7357003
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 48 x ${x0}
set atom 48 x 3.80759401837473
1 settings made for x
set atom $i y ${y0}
set atom 48 y ${y0}
set atom 48 y 4.6440585290806
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 76
variable x0 equal ${xi}
variable x0 equal 8.0613916098962
variable y0 equal ${yi}
variable y0 equal 6.54508387581339
set atom $i x ${xnew}
set atom 76 x ${xnew}
set atom 76 x 8.02383785842754
1 settings made for x
set atom $i y ${ynew}
set atom 76 y ${ynew}
set atom 76 y 6.55223035351267
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2904 -2.9871562 -2.7477588 -2.7357003
2905 -2.9871562 -2.7477588 -2.7386892
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 76 x ${x0}
set atom 76 x 8.0613916098962
1 settings made for x
set atom $i y ${y0}
set atom 76 y ${y0}
set atom 76 y 6.54508387581339
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.46380938370438
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.52789572422702
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2905 -2.9871562 -2.7477588 -2.7386892
2906 -2.9871562 -2.7477588 -2.7178369
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2494.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.15111655909569
variable y0 equal ${yi}
variable y0 equal 6.52915453449718
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.22650869805367
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.45403439537517
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2906 -2.9871562 -2.7477588 -2.7178369
2907 -2.9871562 -2.7477588 -2.7031758
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.15111655909569
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.52915453449718
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54984512486879
variable y0 equal ${yi}
variable y0 equal 3.69442252679001
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.45482155242387
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.66252357525955
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2907 -2.9871562 -2.7477588 -2.7031758
2908 -2.9871562 -2.7477588 -2.6961529
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 57 x ${x0}
set atom 57 x 8.54984512486879
1 settings made for x
set atom $i y ${y0}
set atom 57 y ${y0}
set atom 57 y 3.69442252679001
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 65
variable x0 equal ${xi}
variable x0 equal 2.16303541103708
variable y0 equal ${yi}
variable y0 equal 5.55003341381746
set atom $i x ${xnew}
set atom 65 x ${xnew}
set atom 65 x 2.06573429743158
1 settings made for x
set atom $i y ${ynew}
set atom 65 y ${ynew}
set atom 65 y 5.53099694197374
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2908 -2.9871562 -2.7477588 -2.6961529
2909 -2.9871562 -2.7477588 -2.7131946
Loop time of 7.79629e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 65 x ${x0}
set atom 65 x 2.16303541103708
1 settings made for x
set atom $i y ${y0}
set atom 65 y ${y0}
set atom 65 y 5.55003341381746
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.65179307659102
variable y0 equal ${yi}
variable y0 equal 2.85066882344583
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.69691460330916
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.82776889773706
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2909 -2.9871562 -2.7477588 -2.7131946
2910 -2.9871562 -2.7477588 -2.7439953
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.65179307659102
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.85066882344583
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.26613374709645
variable y0 equal ${yi}
variable y0 equal 7.43164389457965
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.21757472514668
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.34494263258243
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2910 -2.9871562 -2.7477588 -2.7439953
2911 -2.9871562 -2.7477588 -2.7300846
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.26613374709645
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.43164389457965
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.77867908993847
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.94992699595788
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2911 -2.9871562 -2.7477588 -2.7300846
2912 -2.9871562 -2.7477588 -2.7193088
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.81670362273342
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.85977786752084
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.94641846377841
variable y0 equal ${yi}
variable y0 equal 4.67712874764368
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 5.88042734820834
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.60404485815927
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2912 -2.9871562 -2.7477588 -2.7193088
2913 -2.9871562 -2.7477588 -2.7276799
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.94641846377841
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.67712874764368
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.8275111011613
variable y0 equal ${yi}
variable y0 equal 6.48541394011011
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.7746969393838
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.40185358063211
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2913 -2.9871562 -2.7477588 -2.7276799
2914 -2.9871562 -2.7477588 -2.7232888
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.8275111011613
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.48541394011011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.12605889161282
variable y0 equal ${yi}
variable y0 equal 7.46482060280108
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.04262695630246
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.55422830906176
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2914 -2.9871562 -2.7477588 -2.7232888
2915 -2.9871562 -2.7477588 -2.717943
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.12605889161282
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.46482060280108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1299801353476
variable y0 equal ${yi}
variable y0 equal 2.75316406461099
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.1912590507529
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.70935668917993
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2915 -2.9871562 -2.7477588 -2.717943
2916 -2.9871562 -2.7477588 -2.7457745
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1299801353476
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.75316406461099
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 38
variable x0 equal ${xi}
variable x0 equal 9.09958864171057
variable y0 equal ${yi}
variable y0 equal 2.75573046180108
set atom $i x ${xnew}
set atom 38 x ${xnew}
set atom 38 x 9.07846724707632
1 settings made for x
set atom $i y ${ynew}
set atom 38 y ${ynew}
set atom 38 y 2.81085488768914
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2916 -2.9871562 -2.7477588 -2.7457745
2917 -2.9871562 -2.7477588 -2.7416625
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 38 x ${x0}
set atom 38 x 9.09958864171057
1 settings made for x
set atom $i y ${y0}
set atom 38 y ${y0}
set atom 38 y 2.75573046180108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31596373716261
variable y0 equal ${yi}
variable y0 equal 1.83819601914949
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.2603498140898
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.89800306937761
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2917 -2.9871562 -2.7477588 -2.7416625
2918 -2.9871562 -2.7477588 -2.724668
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31596373716261
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.83819601914949
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 80
variable x0 equal ${xi}
variable x0 equal 10.29028950968
variable y0 equal ${yi}
variable y0 equal 6.46599212423793
set atom $i x ${xnew}
set atom 80 x ${xnew}
set atom 80 x 10.2153160575888
1 settings made for x
set atom $i y ${ynew}
set atom 80 y ${ynew}
set atom 80 y 6.55612825886241
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2918 -2.9871562 -2.7477588 -2.724668
2919 -2.9871562 -2.7477588 -2.7256837
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 80 x ${x0}
set atom 80 x 10.29028950968
1 settings made for x
set atom $i y ${y0}
set atom 80 y ${y0}
set atom 80 y 6.46599212423793
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.60919670939226
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.7568897878544
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2919 -2.9871562 -2.7477588 -2.7256837
2920 -2.9871562 -2.7477588 -2.7174376
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 99
variable x0 equal ${xi}
variable x0 equal 9.7112571763861
variable y0 equal ${yi}
variable y0 equal 7.38156818475986
set atom $i x ${xnew}
set atom 99 x ${xnew}
set atom 99 x 9.77421498774169
1 settings made for x
set atom $i y ${ynew}
set atom 99 y ${ynew}
set atom 99 y 7.4674665483501
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2920 -2.9871562 -2.7477588 -2.7174376
2921 -2.9871562 -2.7477588 -2.7164332
Loop time of 3.57628e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 99 x ${x0}
set atom 99 x 9.7112571763861
1 settings made for x
set atom $i y ${y0}
set atom 99 y ${y0}
set atom 99 y 7.38156818475986
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 83
variable x0 equal ${xi}
variable x0 equal 1.12605889161282
variable y0 equal ${yi}
variable y0 equal 7.46482060280108
set atom $i x ${xnew}
set atom 83 x ${xnew}
set atom 83 x 1.2091362746542
1 settings made for x
set atom $i y ${ynew}
set atom 83 y ${ynew}
set atom 83 y 7.46544181432986
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2921 -2.9871562 -2.7477588 -2.7164332
2922 -2.9871562 -2.7477588 -2.7256726
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 83 x ${x0}
set atom 83 x 1.12605889161282
1 settings made for x
set atom $i y ${y0}
set atom 83 y ${y0}
set atom 83 y 7.46482060280108
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 55
variable x0 equal ${xi}
variable x0 equal 7.53527552921544
variable y0 equal ${yi}
variable y0 equal 3.71127284331453
set atom $i x ${xnew}
set atom 55 x ${xnew}
set atom 55 x 7.47175482351552
1 settings made for x
set atom $i y ${ynew}
set atom 55 y ${ynew}
set atom 55 y 3.66475013060701
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2922 -2.9871562 -2.7477588 -2.7256726
2923 -2.9871562 -2.7477588 -2.7290379
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 55 x ${x0}
set atom 55 x 7.53527552921544
1 settings made for x
set atom $i y ${y0}
set atom 55 y ${y0}
set atom 55 y 3.71127284331453
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 1
variable x0 equal ${xi}
variable x0 equal 10.619244964903
variable y0 equal ${yi}
variable y0 equal 9.30595166194766
set atom $i x ${xnew}
set atom 1 x ${xnew}
set atom 1 x 10.6525439341718
1 settings made for x
set atom $i y ${ynew}
set atom 1 y ${ynew}
set atom 1 y 9.31428907621234
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2923 -2.9871562 -2.7477588 -2.7290379
2924 -2.9871562 -2.7477588 -2.750775
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.75077496461446
variable naccept equal ${increment}
variable naccept equal 482
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 29
variable x0 equal ${xi}
variable x0 equal 4.26957070906373
variable y0 equal ${yi}
variable y0 equal 1.93462480685777
set atom $i x ${xnew}
set atom 29 x ${xnew}
set atom 29 x 4.21087946970674
1 settings made for x
set atom $i y ${ynew}
set atom 29 y ${ynew}
set atom 29 y 1.90441664836473
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2924 -2.9871562 -2.750775 -2.750775
2925 -2.9871562 -2.750775 -2.7380846
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 29 x ${x0}
set atom 29 x 4.26957070906373
1 settings made for x
set atom $i y ${y0}
set atom 29 y ${y0}
set atom 29 y 1.93462480685777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.81670362273342
variable y0 equal ${yi}
variable y0 equal 2.85977786752084
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.78851652661449
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.84074224206308
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2925 -2.9871562 -2.750775 -2.7380846
2926 -2.9871562 -2.750775 -2.7527209
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.75272091727002
variable naccept equal ${increment}
variable naccept equal 483
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.26613374709645
variable y0 equal ${yi}
variable y0 equal 7.43164389457965
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.1811347460703
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.48603480186725
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2926 -2.9871562 -2.7527209 -2.7527209
2927 -2.9871562 -2.7527209 -2.7357499
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.26613374709645
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.43164389457965
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.00678724327727
variable y0 equal ${yi}
variable y0 equal 4.66030267828866
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 7.00183905640288
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.72504966610833
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2927 -2.9871562 -2.7527209 -2.7357499
2928 -2.9871562 -2.7527209 -2.7375193
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.00678724327727
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.66030267828866
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.98599239308387
variable y0 equal ${yi}
variable y0 equal 0.925951715219346
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 9.04312014300376
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 1.00520852397713
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2928 -2.9871562 -2.7527209 -2.7375193
2929 -2.9871562 -2.7527209 -2.7387441
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.98599239308387
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.925951715219346
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 87
variable x0 equal ${xi}
variable x0 equal 3.26613374709645
variable y0 equal ${yi}
variable y0 equal 7.43164389457965
set atom $i x ${xnew}
set atom 87 x ${xnew}
set atom 87 x 3.25118179082432
1 settings made for x
set atom $i y ${ynew}
set atom 87 y ${ynew}
set atom 87 y 7.52136857834125
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2929 -2.9871562 -2.7527209 -2.7387441
2930 -2.9871562 -2.7527209 -2.7402144
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 87 x ${x0}
set atom 87 x 3.26613374709645
1 settings made for x
set atom $i y ${y0}
set atom 87 y ${y0}
set atom 87 y 7.43164389457965
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 25
variable x0 equal ${xi}
variable x0 equal 2.16921079794274
variable y0 equal ${yi}
variable y0 equal 1.86157575032777
set atom $i x ${xnew}
set atom 25 x ${xnew}
set atom 25 x 2.19794365803109
1 settings made for x
set atom $i y ${ynew}
set atom 25 y ${ynew}
set atom 25 y 1.8117689766652
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2930 -2.9871562 -2.7527209 -2.7402144
2931 -2.9871562 -2.7527209 -2.7443636
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 25 x ${x0}
set atom 25 x 2.16921079794274
1 settings made for x
set atom $i y ${y0}
set atom 25 y ${y0}
set atom 25 y 1.86157575032777
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 71
variable x0 equal ${xi}
variable x0 equal 5.41745940843489
variable y0 equal ${yi}
variable y0 equal 5.54884942715364
set atom $i x ${xnew}
set atom 71 x ${xnew}
set atom 71 x 5.38263498941328
1 settings made for x
set atom $i y ${ynew}
set atom 71 y ${ynew}
set atom 71 y 5.47153434698778
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2931 -2.9871562 -2.7527209 -2.7443636
2932 -2.9871562 -2.7527209 -2.7267269
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 71 x ${x0}
set atom 71 x 5.41745940843489
1 settings made for x
set atom $i y ${y0}
set atom 71 y ${y0}
set atom 71 y 5.54884942715364
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.1717276934643
variable y0 equal ${yi}
variable y0 equal 0.945514078843921
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.0902509097119
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 1.00877742360863
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2932 -2.9871562 -2.7527209 -2.7267269
2933 -2.9871562 -2.7527209 -2.7303785
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.1717276934643
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.945514078843921
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.35099447487909
variable y0 equal ${yi}
variable y0 equal 1.92307773015564
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.31178133009988
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 1.99272128722733
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2933 -2.9871562 -2.7527209 -2.7303785
2934 -2.9871562 -2.7527209 -2.6848407
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 33 x ${x0}
set atom 33 x 6.35099447487909
1 settings made for x
set atom $i y ${y0}
set atom 33 y ${y0}
set atom 33 y 1.92307773015564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 81
variable x0 equal ${xi}
variable x0 equal 0.0322040319442937
variable y0 equal ${yi}
variable y0 equal 7.38692112293505
set atom $i x ${xnew}
set atom 81 x ${xnew}
set atom 81 x 0.0255066394806096
1 settings made for x
set atom $i y ${ynew}
set atom 81 y ${ynew}
set atom 81 y 7.29598323431277
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2934 -2.9871562 -2.7527209 -2.6848407
2935 -2.9871562 -2.7527209 -2.7242848
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 81 x ${x0}
set atom 81 x 0.0322040319442937
1 settings made for x
set atom $i y ${y0}
set atom 81 y ${y0}
set atom 81 y 7.38692112293505
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 84
variable x0 equal ${xi}
variable x0 equal 1.63794375538607
variable y0 equal ${yi}
variable y0 equal 8.371298693791
set atom $i x ${xnew}
set atom 84 x ${xnew}
set atom 84 x 1.59730152964373
1 settings made for x
set atom $i y ${ynew}
set atom 84 y ${ynew}
set atom 84 y 8.36263846077022
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2935 -2.9871562 -2.7527209 -2.7242848
2936 -2.9871562 -2.7527209 -2.7497333
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 84 x ${x0}
set atom 84 x 1.63794375538607
1 settings made for x
set atom $i y ${y0}
set atom 84 y ${y0}
set atom 84 y 8.371298693791
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.35099447487909
variable y0 equal ${yi}
variable y0 equal 1.92307773015564
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.32385683774072
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 1.96152996203964
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2936 -2.9871562 -2.7527209 -2.7497333
2937 -2.9871562 -2.7527209 -2.7242144
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 33 x ${x0}
set atom 33 x 6.35099447487909
1 settings made for x
set atom $i y ${y0}
set atom 33 y ${y0}
set atom 33 y 1.92307773015564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 46
variable x0 equal ${xi}
variable x0 equal 2.74000067909193
variable y0 equal ${yi}
variable y0 equal 4.67914612645074
set atom $i x ${xnew}
set atom 46 x ${xnew}
set atom 46 x 2.77856724460554
1 settings made for x
set atom $i y ${ynew}
set atom 46 y ${ynew}
set atom 46 y 4.59579542035028
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2937 -2.9871562 -2.7527209 -2.7242144
2938 -2.9871562 -2.7527209 -2.732258
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 46 x ${x0}
set atom 46 x 2.74000067909193
1 settings made for x
set atom $i y ${y0}
set atom 46 y ${y0}
set atom 46 y 4.67914612645074
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.50563201784869
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.75688494795724
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2938 -2.9871562 -2.7527209 -2.732258
2939 -2.9871562 -2.7527209 -2.6958244
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.36143123308087
variable y0 equal ${yi}
variable y0 equal 7.41034705963397
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.32306498685742
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.38850168314242
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2939 -2.9871562 -2.7527209 -2.6958244
2940 -2.9871562 -2.7527209 -2.743933
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.36143123308087
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.41034705963397
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 31
variable x0 equal ${xi}
variable x0 equal 5.31596373716261
variable y0 equal ${yi}
variable y0 equal 1.83819601914949
set atom $i x ${xnew}
set atom 31 x ${xnew}
set atom 31 x 5.41161779561903
1 settings made for x
set atom $i y ${ynew}
set atom 31 y ${ynew}
set atom 31 y 1.75763559720583
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2940 -2.9871562 -2.7527209 -2.743933
2941 -2.9871562 -2.7527209 -2.7038197
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 31 x ${x0}
set atom 31 x 5.31596373716261
1 settings made for x
set atom $i y ${y0}
set atom 31 y ${y0}
set atom 31 y 1.83819601914949
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 2
variable x0 equal ${xi}
variable x0 equal 0.525174053111937
variable y0 equal ${yi}
variable y0 equal 0.894475575197066
set atom $i x ${xnew}
set atom 2 x ${xnew}
set atom 2 x 0.458530326286223
1 settings made for x
set atom $i y ${ynew}
set atom 2 y ${ynew}
set atom 2 y 0.958068867433394
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2941 -2.9871562 -2.7527209 -2.7038197
2942 -2.9871562 -2.7527209 -2.7441151
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 2 x ${x0}
set atom 2 x 0.525174053111937
1 settings made for x
set atom $i y ${y0}
set atom 2 y ${y0}
set atom 2 y 0.894475575197066
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 39
variable x0 equal ${xi}
variable x0 equal 9.58521930454847
variable y0 equal ${yi}
variable y0 equal 1.81828533790177
set atom $i x ${xnew}
set atom 39 x ${xnew}
set atom 39 x 9.59200809477445
1 settings made for x
set atom $i y ${ynew}
set atom 39 y ${ynew}
set atom 39 y 1.90111651799744
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2942 -2.9871562 -2.7527209 -2.7441151
2943 -2.9871562 -2.7527209 -2.7367799
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 39 x ${x0}
set atom 39 x 9.58521930454847
1 settings made for x
set atom $i y ${y0}
set atom 39 y ${y0}
set atom 39 y 1.81828533790177
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 9
variable x0 equal ${xi}
variable x0 equal 4.27178276856155
variable y0 equal ${yi}
variable y0 equal 0.00600513219834582
set atom $i x ${xnew}
set atom 9 x ${xnew}
set atom 9 x 4.26799798090667
1 settings made for x
set atom $i y ${ynew}
set atom 9 y ${ynew}
set atom 9 y 0.0409893155098082
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2943 -2.9871562 -2.7527209 -2.7367799
2944 -2.9871562 -2.7527209 -2.7532874
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.75328735057519
variable naccept equal ${increment}
variable naccept equal 484
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 26
variable x0 equal ${xi}
variable x0 equal 2.65179307659102
variable y0 equal ${yi}
variable y0 equal 2.85066882344583
set atom $i x ${xnew}
set atom 26 x ${xnew}
set atom 26 x 2.59091410835219
1 settings made for x
set atom $i y ${ynew}
set atom 26 y ${ynew}
set atom 26 y 2.89956985684732
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2944 -2.9871562 -2.7532874 -2.7532874
2945 -2.9871562 -2.7532874 -2.7290834
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 26 x ${x0}
set atom 26 x 2.65179307659102
1 settings made for x
set atom $i y ${y0}
set atom 26 y ${y0}
set atom 26 y 2.85066882344583
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 40
variable x0 equal ${xi}
variable x0 equal 10.1299801353476
variable y0 equal ${yi}
variable y0 equal 2.75316406461099
set atom $i x ${xnew}
set atom 40 x ${xnew}
set atom 40 x 10.0800767544768
1 settings made for x
set atom $i y ${ynew}
set atom 40 y ${ynew}
set atom 40 y 2.7512019273887
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2945 -2.9871562 -2.7532874 -2.7290834
2946 -2.9871562 -2.7532874 -2.7405972
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 40 x ${x0}
set atom 40 x 10.1299801353476
1 settings made for x
set atom $i y ${y0}
set atom 40 y ${y0}
set atom 40 y 2.75316406461099
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.8275111011613
variable y0 equal ${yi}
variable y0 equal 6.48541394011011
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.77694305697566
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.56693319813242
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2946 -2.9871562 -2.7532874 -2.7405972
2947 -2.9871562 -2.7532874 -2.7333085
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.8275111011613
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.48541394011011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.500509889522458
variable y0 equal ${yi}
variable y0 equal 4.59161240214273
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.532693059841062
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.49708325022623
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2947 -2.9871562 -2.7532874 -2.7333085
2948 -2.9871562 -2.7532874 -2.7324211
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 42 x ${x0}
set atom 42 x 0.500509889522458
1 settings made for x
set atom $i y ${y0}
set atom 42 y ${y0}
set atom 42 y 4.59161240214273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 20
variable x0 equal ${xi}
variable x0 equal 10.1717276934643
variable y0 equal ${yi}
variable y0 equal 0.945514078843921
set atom $i x ${xnew}
set atom 20 x ${xnew}
set atom 20 x 10.1590479616184
1 settings made for x
set atom $i y ${ynew}
set atom 20 y ${ynew}
set atom 20 y 0.990723379361957
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2948 -2.9871562 -2.7532874 -2.7324211
2949 -2.9871562 -2.7532874 -2.7486006
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 20 x ${x0}
set atom 20 x 10.1717276934643
1 settings made for x
set atom $i y ${y0}
set atom 20 y ${y0}
set atom 20 y 0.945514078843921
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 52
variable x0 equal ${xi}
variable x0 equal 5.94641846377841
variable y0 equal ${yi}
variable y0 equal 4.67712874764368
set atom $i x ${xnew}
set atom 52 x ${xnew}
set atom 52 x 6.01490493972293
1 settings made for x
set atom $i y ${ynew}
set atom 52 y ${ynew}
set atom 52 y 4.68249245041773
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2949 -2.9871562 -2.7532874 -2.7486006
2950 -2.9871562 -2.7532874 -2.7433232
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 52 x ${x0}
set atom 52 x 5.94641846377841
1 settings made for x
set atom $i y ${y0}
set atom 52 y ${y0}
set atom 52 y 4.67712874764368
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.15111655909569
variable y0 equal ${yi}
variable y0 equal 6.52915453449718
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.25104720313103
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.55393446222774
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2950 -2.9871562 -2.7532874 -2.7433232
2951 -2.9871562 -2.7532874 -2.7232783
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.15111655909569
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.52915453449718
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 92
variable x0 equal ${xi}
variable x0 equal 5.87285548408023
variable y0 equal ${yi}
variable y0 equal 8.36937119878825
set atom $i x ${xnew}
set atom 92 x ${xnew}
set atom 92 x 5.78111954886905
1 settings made for x
set atom $i y ${ynew}
set atom 92 y ${ynew}
set atom 92 y 8.35275536693629
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2951 -2.9871562 -2.7532874 -2.7232783
2952 -2.9871562 -2.7532874 -2.7259218
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 92 x ${x0}
set atom 92 x 5.87285548408023
1 settings made for x
set atom $i y ${y0}
set atom 92 y ${y0}
set atom 92 y 8.36937119878825
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 3
variable x0 equal ${xi}
variable x0 equal 1.02897904236965
variable y0 equal ${yi}
variable y0 equal 9.27259716499179
set atom $i x ${xnew}
set atom 3 x ${xnew}
set atom 3 x 0.968074348766135
1 settings made for x
set atom $i y ${ynew}
set atom 3 y ${ynew}
set atom 3 y 9.32795874584048
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2952 -2.9871562 -2.7532874 -2.7259218
2953 -2.9871562 -2.7532874 -2.7397501
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 3 x ${x0}
set atom 3 x 1.02897904236965
1 settings made for x
set atom $i y ${y0}
set atom 3 y ${y0}
set atom 3 y 9.27259716499179
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.35691284020158
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.47275000755984
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2953 -2.9871562 -2.7532874 -2.7397501
2954 -2.9871562 -2.7532874 -2.7433342
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 27
variable x0 equal ${xi}
variable x0 equal 3.2013416862444
variable y0 equal ${yi}
variable y0 equal 1.98039417645997
set atom $i x ${xnew}
set atom 27 x ${xnew}
set atom 27 x 3.28021324634114
1 settings made for x
set atom $i y ${ynew}
set atom 27 y ${ynew}
set atom 27 y 1.96893048665589
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2954 -2.9871562 -2.7532874 -2.7433342
2955 -2.9871562 -2.7532874 -2.7385157
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 27 x ${x0}
set atom 27 x 3.2013416862444
1 settings made for x
set atom $i y ${y0}
set atom 27 y ${y0}
set atom 27 y 1.98039417645997
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 68
variable x0 equal ${xi}
variable x0 equal 3.8275111011613
variable y0 equal ${yi}
variable y0 equal 6.48541394011011
set atom $i x ${xnew}
set atom 68 x ${xnew}
set atom 68 x 3.76331955710536
1 settings made for x
set atom $i y ${ynew}
set atom 68 y ${ynew}
set atom 68 y 6.44811980263224
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2955 -2.9871562 -2.7532874 -2.7385157
2956 -2.9871562 -2.7532874 -2.7411746
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 68 x ${x0}
set atom 68 x 3.8275111011613
1 settings made for x
set atom $i y ${y0}
set atom 68 y ${y0}
set atom 68 y 6.48541394011011
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 62
variable x0 equal ${xi}
variable x0 equal 0.647362239757444
variable y0 equal ${yi}
variable y0 equal 6.49172300831308
set atom $i x ${xnew}
set atom 62 x ${xnew}
set atom 62 x 0.622266717353727
1 settings made for x
set atom $i y ${ynew}
set atom 62 y ${ynew}
set atom 62 y 6.56202939287653
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2956 -2.9871562 -2.7532874 -2.7411746
2957 -2.9871562 -2.7532874 -2.7500994
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 62 x ${x0}
set atom 62 x 0.647362239757444
1 settings made for x
set atom $i y ${y0}
set atom 62 y ${y0}
set atom 62 y 6.49172300831308
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 57
variable x0 equal ${xi}
variable x0 equal 8.54984512486879
variable y0 equal ${yi}
variable y0 equal 3.69442252679001
set atom $i x ${xnew}
set atom 57 x ${xnew}
set atom 57 x 8.56829549231951
1 settings made for x
set atom $i y ${ynew}
set atom 57 y ${ynew}
set atom 57 y 3.67476536793839
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2957 -2.9871562 -2.7532874 -2.7500994
2958 -2.9871562 -2.7532874 -2.7539438
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.75394382620027
variable naccept equal ${increment}
variable naccept equal 485
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 16
variable x0 equal ${xi}
variable x0 equal 7.95025718807079
variable y0 equal ${yi}
variable y0 equal 0.949378951299518
set atom $i x ${xnew}
set atom 16 x ${xnew}
set atom 16 x 8.01037481426098
1 settings made for x
set atom $i y ${ynew}
set atom 16 y ${ynew}
set atom 16 y 0.937795325029224
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2958 -2.9871562 -2.7539438 -2.7539438
2959 -2.9871562 -2.7539438 -2.7424425
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 16 x ${x0}
set atom 16 x 7.95025718807079
1 settings made for x
set atom $i y ${y0}
set atom 16 y ${y0}
set atom 16 y 0.949378951299518
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.13902074734077
variable y0 equal ${yi}
variable y0 equal 9.29444277990191
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.15100954214439
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.2236336778435
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2959 -2.9871562 -2.7539438 -2.7424425
2960 -2.9871562 -2.7539438 -2.7400005
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.13902074734077
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 9.29444277990191
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 91
variable x0 equal ${xi}
variable x0 equal 5.36143123308087
variable y0 equal ${yi}
variable y0 equal 7.41034705963397
set atom $i x ${xnew}
set atom 91 x ${xnew}
set atom 91 x 5.36507325569058
1 settings made for x
set atom $i y ${ynew}
set atom 91 y ${ynew}
set atom 91 y 7.31913150873446
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2960 -2.9871562 -2.7539438 -2.7400005
2961 -2.9871562 -2.7539438 -2.7391325
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 91 x ${x0}
set atom 91 x 5.36143123308087
1 settings made for x
set atom $i y ${y0}
set atom 91 y ${y0}
set atom 91 y 7.41034705963397
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 44
variable x0 equal ${xi}
variable x0 equal 1.59001860499163
variable y0 equal ${yi}
variable y0 equal 4.68076303357049
set atom $i x ${xnew}
set atom 44 x ${xnew}
set atom 44 x 1.63138304829378
1 settings made for x
set atom $i y ${ynew}
set atom 44 y ${ynew}
set atom 44 y 4.6209767853634
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2961 -2.9871562 -2.7539438 -2.7391325
2962 -2.9871562 -2.7539438 -2.753053
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 44 x ${x0}
set atom 44 x 1.59001860499163
1 settings made for x
set atom $i y ${y0}
set atom 44 y ${y0}
set atom 44 y 4.68076303357049
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.88060106316253
variable y0 equal ${yi}
variable y0 equal 0.960105260122139
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.82137906828567
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.934996505487282
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2962 -2.9871562 -2.7539438 -2.753053
2963 -2.9871562 -2.7539438 -2.7402008
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.88060106316253
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.960105260122139
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.88060106316253
variable y0 equal ${yi}
variable y0 equal 0.960105260122139
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.82064826765701
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 0.953040440786202
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2963 -2.9871562 -2.7539438 -2.7402008
2964 -2.9871562 -2.7539438 -2.74123
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.88060106316253
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.960105260122139
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 32
variable x0 equal ${xi}
variable x0 equal 5.92034897763721
variable y0 equal ${yi}
variable y0 equal 2.80042437287667
set atom $i x ${xnew}
set atom 32 x ${xnew}
set atom 32 x 5.84993776042453
1 settings made for x
set atom $i y ${ynew}
set atom 32 y ${ynew}
set atom 32 y 2.87789943190911
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2964 -2.9871562 -2.7539438 -2.74123
2965 -2.9871562 -2.7539438 -2.7109534
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2496.6% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 32 x ${x0}
set atom 32 x 5.92034897763721
1 settings made for x
set atom $i y ${y0}
set atom 32 y ${y0}
set atom 32 y 2.80042437287667
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 28
variable x0 equal ${xi}
variable x0 equal 3.78851652661449
variable y0 equal ${yi}
variable y0 equal 2.84074224206308
set atom $i x ${xnew}
set atom 28 x ${xnew}
set atom 28 x 3.84578108111507
1 settings made for x
set atom $i y ${ynew}
set atom 28 y ${ynew}
set atom 28 y 2.91428672047952
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2965 -2.9871562 -2.7539438 -2.7109534
2966 -2.9871562 -2.7539438 -2.7356723
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 28 x ${x0}
set atom 28 x 3.78851652661449
1 settings made for x
set atom $i y ${y0}
set atom 28 y ${y0}
set atom 28 y 2.84074224206308
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 74
variable x0 equal ${xi}
variable x0 equal 7.04742242375061
variable y0 equal ${yi}
variable y0 equal 6.46128811375131
set atom $i x ${xnew}
set atom 74 x ${xnew}
set atom 74 x 6.96673145571396
1 settings made for x
set atom $i y ${ynew}
set atom 74 y ${ynew}
set atom 74 y 6.3965297056817
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2966 -2.9871562 -2.7539438 -2.7356723
2967 -2.9871562 -2.7539438 -2.7192316
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 74 x ${x0}
set atom 74 x 7.04742242375061
1 settings made for x
set atom $i y ${y0}
set atom 74 y ${y0}
set atom 74 y 6.46128811375131
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.66362923859236
variable y0 equal ${yi}
variable y0 equal 5.65359488671022
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.58907666681883
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.62402175610262
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2967 -2.9871562 -2.7539438 -2.7192316
2968 -2.9871562 -2.7539438 -2.7442611
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.66362923859236
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.65359488671022
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.52148601848851
variable y0 equal ${yi}
variable y0 equal 5.57813051884371
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.59163548786412
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.53327572291094
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2968 -2.9871562 -2.7539438 -2.7442611
2969 -2.9871562 -2.7539438 -2.7512734
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 75 x ${x0}
set atom 75 x 7.52148601848851
1 settings made for x
set atom $i y ${y0}
set atom 75 y ${y0}
set atom 75 y 5.57813051884371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 67
variable x0 equal ${xi}
variable x0 equal 3.29802477120916
variable y0 equal ${yi}
variable y0 equal 5.57190024798112
set atom $i x ${xnew}
set atom 67 x ${xnew}
set atom 67 x 3.27479552983801
1 settings made for x
set atom $i y ${ynew}
set atom 67 y ${ynew}
set atom 67 y 5.48164402191835
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2969 -2.9871562 -2.7539438 -2.7512734
2970 -2.9871562 -2.7539438 -2.7289203
Loop time of 4.00543e-05 on 1 procs for 1 steps with 100 atoms
2494.1% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 67 x ${x0}
set atom 67 x 3.29802477120916
1 settings made for x
set atom $i y ${y0}
set atom 67 y ${y0}
set atom 67 y 5.57190024798112
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.47742998122294
variable y0 equal ${yi}
variable y0 equal 3.76617543263566
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.53793140172083
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.79768858714234
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2970 -2.9871562 -2.7539438 -2.7289203
2971 -2.9871562 -2.7539438 -2.7361349
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 53 x ${x0}
set atom 53 x 6.47742998122294
1 settings made for x
set atom $i y ${y0}
set atom 53 y ${y0}
set atom 53 y 3.76617543263566
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.500509889522458
variable y0 equal ${yi}
variable y0 equal 4.59161240214273
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.469954164424802
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.53737027996942
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2971 -2.9871562 -2.7539438 -2.7361349
2972 -2.9871562 -2.7539438 -2.7431142
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 42 x ${x0}
set atom 42 x 0.500509889522458
1 settings made for x
set atom $i y ${y0}
set atom 42 y ${y0}
set atom 42 y 4.59161240214273
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.06178798078395
variable y0 equal ${yi}
variable y0 equal 2.74185490580896
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.10974392293788
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.8185374734054
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2972 -2.9871562 -2.7539438 -2.7431142
2973 -2.9871562 -2.7539438 -2.7329769
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.06178798078395
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.74185490580896
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 85
variable x0 equal ${xi}
variable x0 equal 2.18122052589761
variable y0 equal ${yi}
variable y0 equal 7.43532284822726
set atom $i x ${xnew}
set atom 85 x ${xnew}
set atom 85 x 2.11909139791833
1 settings made for x
set atom $i y ${ynew}
set atom 85 y ${ynew}
set atom 85 y 7.41292558040881
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2973 -2.9871562 -2.7539438 -2.7329769
2974 -2.9871562 -2.7539438 -2.7424018
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 85 x ${x0}
set atom 85 x 2.18122052589761
1 settings made for x
set atom $i y ${y0}
set atom 85 y ${y0}
set atom 85 y 7.43532284822726
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.56200896659319
variable y0 equal ${yi}
variable y0 equal 9.2929022978577
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.49557646670763
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.22478402364582
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2974 -2.9871562 -2.7539438 -2.7424018
2975 -2.9871562 -2.7539438 -2.7431917
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.56200896659319
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.2929022978577
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 75
variable x0 equal ${xi}
variable x0 equal 7.52148601848851
variable y0 equal ${yi}
variable y0 equal 5.57813051884371
set atom $i x ${xnew}
set atom 75 x ${xnew}
set atom 75 x 7.46393394310246
1 settings made for x
set atom $i y ${ynew}
set atom 75 y ${ynew}
set atom 75 y 5.49718704168993
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2975 -2.9871562 -2.7539438 -2.7431917
2976 -2.9871562 -2.7539438 -2.7220106
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 75 x ${x0}
set atom 75 x 7.52148601848851
1 settings made for x
set atom $i y ${y0}
set atom 75 y ${y0}
set atom 75 y 5.57813051884371
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 53
variable x0 equal ${xi}
variable x0 equal 6.47742998122294
variable y0 equal ${yi}
variable y0 equal 3.76617543263566
set atom $i x ${xnew}
set atom 53 x ${xnew}
set atom 53 x 6.44860480546076
1 settings made for x
set atom $i y ${ynew}
set atom 53 y ${ynew}
set atom 53 y 3.7287059978975
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2976 -2.9871562 -2.7539438 -2.7220106
2977 -2.9871562 -2.7539438 -2.75362
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.75362003368566
variable naccept equal ${increment}
variable naccept equal 486
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.29407903034898
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.47957183067996
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2977 -2.9871562 -2.75362 -2.75362
2978 -2.9871562 -2.75362 -2.7305275
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 24
variable x0 equal ${xi}
variable x0 equal 1.59829139590045
variable y0 equal ${yi}
variable y0 equal 2.77385951253275
set atom $i x ${xnew}
set atom 24 x ${xnew}
set atom 24 x 1.65979388832828
1 settings made for x
set atom $i y ${ynew}
set atom 24 y ${ynew}
set atom 24 y 2.72343895408014
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2978 -2.9871562 -2.75362 -2.7305275
2979 -2.9871562 -2.75362 -2.7393582
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 24 x ${x0}
set atom 24 x 1.59829139590045
1 settings made for x
set atom $i y ${y0}
set atom 24 y ${y0}
set atom 24 y 2.77385951253275
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 63
variable x0 equal ${xi}
variable x0 equal 1.09178573210888
variable y0 equal ${yi}
variable y0 equal 5.57776011173921
set atom $i x ${xnew}
set atom 63 x ${xnew}
set atom 63 x 1.06548571904354
1 settings made for x
set atom $i y ${ynew}
set atom 63 y ${ynew}
set atom 63 y 5.66596307699876
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2979 -2.9871562 -2.75362 -2.7393582
2980 -2.9871562 -2.75362 -2.7117182
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 63 x ${x0}
set atom 63 x 1.09178573210888
1 settings made for x
set atom $i y ${y0}
set atom 63 y ${y0}
set atom 63 y 5.57776011173921
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 18
variable x0 equal ${xi}
variable x0 equal 8.98599239308387
variable y0 equal ${yi}
variable y0 equal 0.925951715219346
set atom $i x ${xnew}
set atom 18 x ${xnew}
set atom 18 x 9.01515912730247
1 settings made for x
set atom $i y ${ynew}
set atom 18 y ${ynew}
set atom 18 y 0.887745292890397
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2980 -2.9871562 -2.75362 -2.7117182
2981 -2.9871562 -2.75362 -2.7510569
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 18 x ${x0}
set atom 18 x 8.98599239308387
1 settings made for x
set atom $i y ${y0}
set atom 18 y ${y0}
set atom 18 y 0.925951715219346
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 36
variable x0 equal ${xi}
variable x0 equal 8.06178798078395
variable y0 equal ${yi}
variable y0 equal 2.74185490580896
set atom $i x ${xnew}
set atom 36 x ${xnew}
set atom 36 x 8.13581071494914
1 settings made for x
set atom $i y ${ynew}
set atom 36 y ${ynew}
set atom 36 y 2.76795037957529
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2981 -2.9871562 -2.75362 -2.7510569
2982 -2.9871562 -2.75362 -2.7268467
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 36 x ${x0}
set atom 36 x 8.06178798078395
1 settings made for x
set atom $i y ${y0}
set atom 36 y ${y0}
set atom 36 y 2.74185490580896
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 49
variable x0 equal ${xi}
variable x0 equal 4.37311956961365
variable y0 equal ${yi}
variable y0 equal 3.73546738190782
set atom $i x ${xnew}
set atom 49 x ${xnew}
set atom 49 x 4.39594184239121
1 settings made for x
set atom $i y ${ynew}
set atom 49 y ${ynew}
set atom 49 y 3.77885702414644
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2982 -2.9871562 -2.75362 -2.7268467
2983 -2.9871562 -2.75362 -2.7410922
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 49 x ${x0}
set atom 49 x 4.37311956961365
1 settings made for x
set atom $i y ${y0}
set atom 49 y ${y0}
set atom 49 y 3.73546738190782
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.66362923859236
variable y0 equal ${yi}
variable y0 equal 5.65359488671022
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.71431942461607
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.60496181194978
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2983 -2.9871562 -2.75362 -2.7410922
2984 -2.9871562 -2.75362 -2.7550702
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.7550701509038
variable naccept equal ${increment}
variable naccept equal 487
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 42
variable x0 equal ${xi}
variable x0 equal 0.500509889522458
variable y0 equal ${yi}
variable y0 equal 4.59161240214273
set atom $i x ${xnew}
set atom 42 x ${xnew}
set atom 42 x 0.546475799480344
1 settings made for x
set atom $i y ${ynew}
set atom 42 y ${ynew}
set atom 42 y 4.62186012619897
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2984 -2.9871562 -2.7550702 -2.7550702
2985 -2.9871562 -2.7550702 -2.7556181
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
variable elast equal $e
variable elast equal -2.75561814014617
variable naccept equal ${increment}
variable naccept equal 488
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.90591750978765
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.4184711090475
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2985 -2.9871562 -2.7556181 -2.7556181
2986 -2.9871562 -2.7556181 -2.727834
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 14
variable x0 equal ${xi}
variable x0 equal 6.88060106316253
variable y0 equal ${yi}
variable y0 equal 0.960105260122139
set atom $i x ${xnew}
set atom 14 x ${xnew}
set atom 14 x 6.97161685505553
1 settings made for x
set atom $i y ${ynew}
set atom 14 y ${ynew}
set atom 14 y 1.03950984071525
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2986 -2.9871562 -2.7556181 -2.727834
2987 -2.9871562 -2.7556181 -2.7067347
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 14 x ${x0}
set atom 14 x 6.88060106316253
1 settings made for x
set atom $i y ${y0}
set atom 14 y ${y0}
set atom 14 y 0.960105260122139
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 79
variable x0 equal ${xi}
variable x0 equal 9.71431942461607
variable y0 equal ${yi}
variable y0 equal 5.60496181194978
set atom $i x ${xnew}
set atom 79 x ${xnew}
set atom 79 x 9.80766351698515
1 settings made for x
set atom $i y ${ynew}
set atom 79 y ${ynew}
set atom 79 y 5.58589920942979
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2987 -2.9871562 -2.7556181 -2.7067347
2988 -2.9871562 -2.7556181 -2.7044395
Loop time of 7.89165e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 79 x ${x0}
set atom 79 x 9.71431942461607
1 settings made for x
set atom $i y ${y0}
set atom 79 y ${y0}
set atom 79 y 5.60496181194978
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 5
variable x0 equal ${xi}
variable x0 equal 2.13902074734077
variable y0 equal ${yi}
variable y0 equal 9.29444277990191
set atom $i x ${xnew}
set atom 5 x ${xnew}
set atom 5 x 2.07677179018363
1 settings made for x
set atom $i y ${ynew}
set atom 5 y ${ynew}
set atom 5 y 9.33462863672106
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2988 -2.9871562 -2.7556181 -2.7044395
2989 -2.9871562 -2.7556181 -2.749715
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 5 x ${x0}
set atom 5 x 2.13902074734077
1 settings made for x
set atom $i y ${y0}
set atom 5 y ${y0}
set atom 5 y 9.29444277990191
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.00678724327727
variable y0 equal ${yi}
variable y0 equal 4.66030267828866
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 6.92047409096404
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.59831593388482
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2989 -2.9871562 -2.7556181 -2.749715
2990 -2.9871562 -2.7556181 -2.7307015
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.00678724327727
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.66030267828866
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 78
variable x0 equal ${xi}
variable x0 equal 9.15111655909569
variable y0 equal ${yi}
variable y0 equal 6.52915453449718
set atom $i x ${xnew}
set atom 78 x ${xnew}
set atom 78 x 9.161557504721
1 settings made for x
set atom $i y ${ynew}
set atom 78 y ${ynew}
set atom 78 y 6.58640019432537
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2990 -2.9871562 -2.7556181 -2.7307015
2991 -2.9871562 -2.7556181 -2.7277542
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 78 x ${x0}
set atom 78 x 9.15111655909569
1 settings made for x
set atom $i y ${y0}
set atom 78 y ${y0}
set atom 78 y 6.52915453449718
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 17
variable x0 equal ${xi}
variable x0 equal 8.56200896659319
variable y0 equal ${yi}
variable y0 equal 9.2929022978577
set atom $i x ${xnew}
set atom 17 x ${xnew}
set atom 17 x 8.5818393246216
1 settings made for x
set atom $i y ${ynew}
set atom 17 y ${ynew}
set atom 17 y 9.20365908849567
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2991 -2.9871562 -2.7556181 -2.7277542
2992 -2.9871562 -2.7556181 -2.7369239
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 17 x ${x0}
set atom 17 x 8.56200896659319
1 settings made for x
set atom $i y ${y0}
set atom 17 y ${y0}
set atom 17 y 9.2929022978577
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 89
variable x0 equal ${xi}
variable x0 equal 4.32252682526322
variable y0 equal ${yi}
variable y0 equal 7.38917808857226
set atom $i x ${xnew}
set atom 89 x ${xnew}
set atom 89 x 4.23455171663972
1 settings made for x
set atom $i y ${ynew}
set atom 89 y ${ynew}
set atom 89 y 7.31205942955279
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2992 -2.9871562 -2.7556181 -2.7369239
2993 -2.9871562 -2.7556181 -2.6945056
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 89 x ${x0}
set atom 89 x 4.32252682526322
1 settings made for x
set atom $i y ${y0}
set atom 89 y ${y0}
set atom 89 y 7.38917808857226
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 54
variable x0 equal ${xi}
variable x0 equal 7.00678724327727
variable y0 equal ${yi}
variable y0 equal 4.66030267828866
set atom $i x ${xnew}
set atom 54 x ${xnew}
set atom 54 x 6.94060414114638
1 settings made for x
set atom $i y ${ynew}
set atom 54 y ${ynew}
set atom 54 y 4.6537990009205
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2993 -2.9871562 -2.7556181 -2.6945056
2994 -2.9871562 -2.7556181 -2.7427968
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 54 x ${x0}
set atom 54 x 7.00678724327727
1 settings made for x
set atom $i y ${y0}
set atom 54 y ${y0}
set atom 54 y 4.66030267828866
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 69
variable x0 equal ${xi}
variable x0 equal 4.3687668450615
variable y0 equal ${yi}
variable y0 equal 5.52732812111575
set atom $i x ${xnew}
set atom 69 x ${xnew}
set atom 69 x 4.37359725315781
1 settings made for x
set atom $i y ${ynew}
set atom 69 y ${ynew}
set atom 69 y 5.62364107315738
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2994 -2.9871562 -2.7556181 -2.7427968
2995 -2.9871562 -2.7556181 -2.7389461
Loop time of 3.50475e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 69 x ${x0}
set atom 69 x 4.3687668450615
1 settings made for x
set atom $i y ${y0}
set atom 69 y ${y0}
set atom 69 y 5.52732812111575
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 96
variable x0 equal ${xi}
variable x0 equal 8.0514173328767
variable y0 equal ${yi}
variable y0 equal 8.32951669611032
set atom $i x ${xnew}
set atom 96 x ${xnew}
set atom 96 x 8.01479386686184
1 settings made for x
set atom $i y ${ynew}
set atom 96 y ${ynew}
set atom 96 y 8.31813226856286
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2995 -2.9871562 -2.7556181 -2.7389461
2996 -2.9871562 -2.7556181 -2.7502675
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 96 x ${x0}
set atom 96 x 8.0514173328767
1 settings made for x
set atom $i y ${y0}
set atom 96 y ${y0}
set atom 96 y 8.32951669611032
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 90
variable x0 equal ${xi}
variable x0 equal 4.82160441517171
variable y0 equal ${yi}
variable y0 equal 8.38617150701579
set atom $i x ${xnew}
set atom 90 x ${xnew}
set atom 90 x 4.81215400337514
1 settings made for x
set atom $i y ${ynew}
set atom 90 y ${ynew}
set atom 90 y 8.32506048597392
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2996 -2.9871562 -2.7556181 -2.7502675
2997 -2.9871562 -2.7556181 -2.7546772
Loop time of 3.48091e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 90 x ${x0}
set atom 90 x 4.82160441517171
1 settings made for x
set atom $i y ${y0}
set atom 90 y ${y0}
set atom 90 y 8.38617150701579
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 66
variable x0 equal ${xi}
variable x0 equal 2.75945490796997
variable y0 equal ${yi}
variable y0 equal 6.47566335932247
set atom $i x ${xnew}
set atom 66 x ${xnew}
set atom 66 x 2.74685431917145
1 settings made for x
set atom $i y ${ynew}
set atom 66 y ${ynew}
set atom 66 y 6.4391868664407
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2997 -2.9871562 -2.7556181 -2.7546772
2998 -2.9871562 -2.7556181 -2.752076
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 66 x ${x0}
set atom 66 x 2.75945490796997
1 settings made for x
set atom $i y ${y0}
set atom 66 y ${y0}
set atom 66 y 6.47566335932247
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 33
variable x0 equal ${xi}
variable x0 equal 6.35099447487909
variable y0 equal ${yi}
variable y0 equal 1.92307773015564
set atom $i x ${xnew}
set atom 33 x ${xnew}
set atom 33 x 6.35649427889902
1 settings made for x
set atom $i y ${ynew}
set atom 33 y ${ynew}
set atom 33 y 2.00491696975296
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2998 -2.9871562 -2.7556181 -2.752076
2999 -2.9871562 -2.7556181 -2.7020375
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 33 x ${x0}
set atom 33 x 6.35099447487909
1 settings made for x
set atom $i y ${y0}
set atom 33 y ${y0}
set atom 33 y 1.92307773015564
1 settings made for y
next iter
jump SELF loop
variable i equal ${irandom}
variable i equal 97
variable x0 equal ${xi}
variable x0 equal 8.63672733464663
variable y0 equal ${yi}
variable y0 equal 7.39708643284107
set atom $i x ${xnew}
set atom 97 x ${xnew}
set atom 97 x 8.68326119342272
1 settings made for x
set atom $i y ${ynew}
set atom 97 y ${ynew}
set atom 97 y 7.36925632086063
1 settings made for y
run 1 pre no post no
Step v_emin v_elast PotEng
2999 -2.9871562 -2.7556181 -2.7020375
3000 -2.9871562 -2.7556181 -2.7365286
Loop time of 3.60012e-05 on 1 procs for 1 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
if "$e <= ${elast}" then "variable elast equal $e" "variable naccept equal ${increment}" elif "${rn} <= ${boltzfactor}" "variable elast equal $e" "variable naccept equal ${increment}" else "set atom $i x ${x0}" "set atom $i y ${y0}"
set atom $i x ${x0}
set atom 97 x ${x0}
set atom 97 x 8.63672733464663
1 settings made for x
set atom $i y ${y0}
set atom 97 y ${y0}
set atom 97 y 7.39708643284107
1 settings made for y
next iter
jump SELF loop
# final energy and stats
variable nb equal nbuild
variable nbuild equal ${nb}
variable nbuild equal 41
run 0
WARNING: No fixes defined, atoms won't move (../verlet.cpp:55)
Memory usage per processor = 2.35582 Mbytes
Step v_emin v_elast PotEng
3000 -2.9871562 -2.7556181 -2.7556181
Loop time of 9.53674e-07 on 1 procs for 0 steps with 100 atoms
0.0% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0 | 0 | 0 | 0.0 | 0.00
Neigh | 0 | 0 | 0 | 0.0 | 0.00
Comm | 0 | 0 | 0 | 0.0 | 0.00
Output | 0 | 0 | 0 | 0.0 | 0.00
Modify | 0 | 0 | 0 | 0.0 | 0.00
Other | | 9.537e-07 | | |100.00
Nlocal: 100 ave 100 max 100 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 147 ave 147 max 147 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1028 ave 1028 max 1028 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1028
Ave neighs/atom = 10.28
Neighbor list builds = 0
Dangerous builds = 0
print "MC stats:"
MC stats:
print " starting energy = ${estart}"
starting energy = 19.8754304552668
print " final energy = $e"
final energy = -2.75561814014616
print " minimum energy of perfect lattice = ${emin}"
minimum energy of perfect lattice = -2.98715616447945
print " accepted MC moves = ${naccept}"
accepted MC moves = 488
print " neighbor list rebuilds = ${nbuild}"
neighbor list rebuilds = 41
Total wall time: 0:00:00
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