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lammps/examples/USER/atc/elastic/cnt_electrostatic.screen
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cnt_electrostatic.screen
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LAMMPS (24 Aug 2013)
units metal
atom_style atomic
lattice diamond 3.6
Lattice spacing in x,y,z = 3.6 3.6 3.6
pair_style tersoff
boundary s s f
read_data tube_8_4.init
Reading data file ...
orthogonal box = (-4.34588 -4.34588 0) to (4.34588 4.34588 104.296)
1 by 1 by 4 MPI processor grid
1008 atoms
1008 velocities
# PARAMETERS-----------------------------
variable L equal zhi-zlo
variable R equal 12.1/2
variable xhiFE equal 5.0*$R
variable xhiFE equal 5.0*6.0499999999999998224
variable xloFE equal -${xhiFE}
variable xloFE equal -30.25
variable yhiFE equal $R
variable yhiFE equal 6.0499999999999998224
variable yloFE equal -${xhiFE}
variable yloFE equal -30.25
variable zhiFE equal zhi
variable zloFE equal zlo+10
print "Length $L [${zloFE}, ${zhiFE}]"
Length 104.29551668000000575 [10, 104.29551668000000575]
variable E equal 10.0
print "Electric field $E"
Electric field 10
variable drhodx equal 0.0001
variable s equal 50
# END -----------------------------------
#pair_coeff * * SiC.tersoff C
pair_coeff * * ../../../../potentials/SiC.tersoff C
mass * 12.01
# all atoms simulation
region feRegion block ${xloFE} ${xhiFE} ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
region feRegion block -30.25 ${xhiFE} ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
region feRegion block -30.25 30.25 ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
region feRegion block -30.25 30.25 -30.25 ${yhiFE} ${zloFE} ${zhiFE} units box
region feRegion block -30.25 30.25 -30.25 6.0499999999999998224 ${zloFE} ${zhiFE} units box
region feRegion block -30.25 30.25 -30.25 6.0499999999999998224 10 ${zhiFE} units box
region feRegion block -30.25 30.25 -30.25 6.0499999999999998224 10 104.29551668000000575 units box
group internal region feRegion
908 atoms in group internal
variable nAll equal count(all)
variable nGhost equal count(all)-count(internal)
print ">>> number of stationary ghosts: ${nGhost} of ${nAll}"
>>> number of stationary ghosts: 100 of 1008
neighbor 5. bin
neigh_modify every 10 delay 0 check no
timestep 0.0005
# coupling
fix AtC internal atc electrostatic CNT_electrostatic.mat
ATC: constructing electrostatic mechanical coupling with parameter file CNT_electrostatic.mat
ATC: version 2.0
ATC: peratom PE compute created with ID: 3
ATC: computed mass density : 2.05933
ATC: 1 materials defined from CNT_electrostatic.mat
ATC: creating electrostatic extrinsic model
ATC: computed mass density : 2.05933
ATC: 1 materials defined from CNT_electrostatic.mat
ATC: computed mass density : 2.05933
ATC: 1 materials defined from CNT_electrostatic.mat
fix_modify AtC internal_quadrature off
fix_modify AtC omit atomic_charge
fix_modify AtC mesh create 5 1 12 feRegion f p f
ATC: created uniform mesh with 156 nodes, 78 unique nodes, and 60 elements
# initial & boundary conditions
fix_modify AtC initial displacement x all 0.0
fix_modify AtC initial displacement y all 0.0
fix_modify AtC initial displacement z all 0.0
fix_modify AtC initial velocity x all 0.0
fix_modify AtC initial velocity y all 0.0
fix_modify AtC initial velocity z all 0.0
fix_modify AtC initial electric_potential all 0.0
variable a equal -$R-0.1
variable a equal -6.0499999999999998224-0.1
variable b equal $R+0.1
variable b equal 6.0499999999999998224+0.1
fix_modify AtC mesh create_nodeset tube $a $b $a $b ${zloFE} ${zhiFE} units box
fix_modify AtC mesh create_nodeset tube -6.1499999999999994671 $b $a $b ${zloFE} ${zhiFE} units box
fix_modify AtC mesh create_nodeset tube -6.1499999999999994671 6.1499999999999994671 $a $b ${zloFE} ${zhiFE} units box
fix_modify AtC mesh create_nodeset tube -6.1499999999999994671 6.1499999999999994671 -6.1499999999999994671 $b ${zloFE} ${zhiFE} units box
fix_modify AtC mesh create_nodeset tube -6.1499999999999994671 6.1499999999999994671 -6.1499999999999994671 6.1499999999999994671 ${zloFE} ${zhiFE} units box
fix_modify AtC mesh create_nodeset tube -6.1499999999999994671 6.1499999999999994671 -6.1499999999999994671 6.1499999999999994671 10 ${zhiFE} units box
fix_modify AtC mesh create_nodeset tube -6.1499999999999994671 6.1499999999999994671 -6.1499999999999994671 6.1499999999999994671 10 104.29551668000000575 units box
ATC: created nodeset tube with 26 nodes
variable a equal ${zloFE}-0.1
variable a equal 10-0.1
variable b equal ${zloFE}+0.1
variable b equal 10+0.1
fix_modify AtC mesh create_nodeset lbc ${xloFE} ${xhiFE} ${xloFE} ${xhiFE} $a $b units box
fix_modify AtC mesh create_nodeset lbc -30.25 ${xhiFE} ${xloFE} ${xhiFE} $a $b units box
fix_modify AtC mesh create_nodeset lbc -30.25 30.25 ${xloFE} ${xhiFE} $a $b units box
fix_modify AtC mesh create_nodeset lbc -30.25 30.25 -30.25 ${xhiFE} $a $b units box
fix_modify AtC mesh create_nodeset lbc -30.25 30.25 -30.25 30.25 $a $b units box
fix_modify AtC mesh create_nodeset lbc -30.25 30.25 -30.25 30.25 9.9000000000000003553 $b units box
fix_modify AtC mesh create_nodeset lbc -30.25 30.25 -30.25 30.25 9.9000000000000003553 10.099999999999999645 units box
ATC: created nodeset lbc with 6 nodes
variable a equal ${xhiFE}-0.1
variable a equal 30.25-0.1
variable b equal ${xhiFE}+0.1
variable b equal 30.25+0.1
fix_modify AtC mesh create_nodeset top $a $b ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
fix_modify AtC mesh create_nodeset top 30.149999999999998579 $b ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
fix_modify AtC mesh create_nodeset top 30.149999999999998579 30.350000000000001421 ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
fix_modify AtC mesh create_nodeset top 30.149999999999998579 30.350000000000001421 -30.25 ${yhiFE} ${zloFE} ${zhiFE} units box
fix_modify AtC mesh create_nodeset top 30.149999999999998579 30.350000000000001421 -30.25 6.0499999999999998224 ${zloFE} ${zhiFE} units box
fix_modify AtC mesh create_nodeset top 30.149999999999998579 30.350000000000001421 -30.25 6.0499999999999998224 10 ${zhiFE} units box
fix_modify AtC mesh create_nodeset top 30.149999999999998579 30.350000000000001421 -30.25 6.0499999999999998224 10 104.29551668000000575 units box
ATC: created nodeset top with 13 nodes
variable a equal ${xloFE}-0.1
variable a equal -30.25-0.1
variable b equal ${xloFE}+0.1
variable b equal -30.25+0.1
fix_modify AtC mesh create_nodeset bot $a $b ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
fix_modify AtC mesh create_nodeset bot -30.350000000000001421 $b ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
fix_modify AtC mesh create_nodeset bot -30.350000000000001421 -30.149999999999998579 ${yloFE} ${yhiFE} ${zloFE} ${zhiFE} units box
fix_modify AtC mesh create_nodeset bot -30.350000000000001421 -30.149999999999998579 -30.25 ${yhiFE} ${zloFE} ${zhiFE} units box
fix_modify AtC mesh create_nodeset bot -30.350000000000001421 -30.149999999999998579 -30.25 6.0499999999999998224 ${zloFE} ${zhiFE} units box
fix_modify AtC mesh create_nodeset bot -30.350000000000001421 -30.149999999999998579 -30.25 6.0499999999999998224 10 ${zhiFE} units box
fix_modify AtC mesh create_nodeset bot -30.350000000000001421 -30.149999999999998579 -30.25 6.0499999999999998224 10 104.29551668000000575 units box
ATC: created nodeset bot with 13 nodes
fix_modify AtC fix displacement x lbc 0.
fix_modify AtC fix displacement y lbc 0.
fix_modify AtC fix displacement z lbc 0.
fix_modify AtC fix velocity x lbc 0.
fix_modify AtC fix velocity y lbc 0.
fix_modify AtC fix velocity z lbc 0.
fix_modify AtC fix electron_density all 0.0
#fix_modify AtC fix electron_density tube 0.2
fix_modify AtC fix electron_density tube linear 0 0 0 0 0 ${drhodx} 0
fix_modify AtC fix electron_density tube linear 0 0 0 0 0 0.00010000000000000000479 0
ATC: created function : 0 + 0(x-0)+0(y-0)+0.0001(z-0)
fix_modify AtC fix electric_potential all linear 0 0 0 $E 0 0 0 0
fix_modify AtC fix electric_potential all linear 0 0 0 10 0 0 0 0
ATC: created function : 0 + 10(x-0)+0(y-0)+0(z-0)
fix_modify AtC control momentum flux
# run
thermo_style custom step cpu etotal ke
thermo 1#$s
fix_modify AtC output cnt_electrostaticFE $s full_text
fix_modify AtC output cnt_electrostaticFE 50 full_text
ATC: Warning : text output can create _LARGE_ files
ATC: output custom names:
fix_modify AtC output index step
# NOTE not recognized as vector by paraview
variable uX atom x-f_AtC[1]
variable uY atom y-f_AtC[2]
variable uZ atom z-f_AtC[3]
variable rho atom mass*f_AtC[4]
dump CONFIG all custom $s cnt_electrostatic.dmp id type x y z v_uX v_uY v_uZ v_rho
dump CONFIG all custom 50 cnt_electrostatic.dmp id type x y z v_uX v_uY v_uZ v_rho
log cnt_electrostatic.log
#run 1000
# fixed charge, bc on potential
fix_modify AtC unfix electric_potential all
fix_modify AtC fix electric_potential lbc linear 0 0 0 $E 0 0 0 0
fix_modify AtC fix electric_potential lbc linear 0 0 0 10 0 0 0 0
ATC: created function : 0 + 10(x-0)+0(y-0)+0(z-0)
fix_modify AtC fix electric_potential top linear 0 0 0 $E 0 0 0 0
fix_modify AtC fix electric_potential top linear 0 0 0 10 0 0 0 0
ATC: created function : 0 + 10(x-0)+0(y-0)+0(z-0)
fix_modify AtC fix electric_potential bot linear 0 0 0 $E 0 0 0 0
fix_modify AtC fix electric_potential bot linear 0 0 0 10 0 0 0 0
ATC: created function : 0 + 10(x-0)+0(y-0)+0(z-0)
run 1000
Setting up run ...
ATC: WARNING: material: [cnt] cannot find electron_flux
ATC: WARNING: physics model: [electrostatic], material: [cnt] does not provide all interfaces for <electron_density> physics and will be treated as null
Memory usage per processor = 53.947 Mbytes
Step CPU TotEng KinEng
0 0 -7315.3918 4.2386027e-06
1 0.025875092 -7315.3918 8.3975109e-06
2 0.045301914 -7315.3918 1.4120368e-05
3 0.064685106 -7315.3918 2.1378868e-05
4 0.083956003 -7315.3918 3.0172501e-05
5 0.10319209 -7315.3918 4.0500585e-05
6 0.12248397 -7315.3918 5.2362272e-05
7 0.14166808 -7315.3918 6.5756548e-05
8 0.16129589 -7315.3918 8.0682245e-05
9 0.18049788 -7315.3918 9.713804e-05
10 0.20785689 -7315.3918 0.00011512246
11 0.22698593 -7315.3918 0.00013463391
12 0.24624395 -7315.3918 0.00015567063
13 0.26540208 -7315.3918 0.00017823074
14 0.28473401 -7315.3918 0.00020231225
15 0.3038919 -7315.3918 0.00022791303
16 0.32308006 -7315.3918 0.00025503085
17 0.34224606 -7315.3918 0.00028366338
18 0.36137199 -7315.3918 0.00031380817
19 0.38074899 -7315.3918 0.0003454627
20 0.40802693 -7315.3918 0.00037862437
21 0.42707491 -7315.3918 0.0004132905
22 0.44646907 -7315.3918 0.00044945835
23 0.4658711 -7315.3918 0.00048712513
24 0.48541188 -7315.3918 0.00052628798
25 0.50457501 -7315.3918 0.00056694404
26 0.52369404 -7315.3918 0.00060909036
27 0.54288006 -7315.3918 0.00065272401
28 0.561903 -7315.3918 0.00069784199
29 0.58110809 -7315.3917 0.00074444131
30 0.60830498 -7315.3917 0.00079251893
31 0.62760901 -7315.3917 0.00084207182
32 0.64698291 -7315.3917 0.00089309691
33 0.66603303 -7315.3917 0.00094559113
34 0.68511009 -7315.3917 0.00099955142
35 0.70434999 -7315.3917 0.0010549747
36 0.72346497 -7315.3917 0.0011118579
37 0.7428019 -7315.3917 0.0011701978
38 0.77158999 -7315.3917 0.0012299916
39 0.8052671 -7315.3917 0.001291236
40 0.862082 -7315.3917 0.001353928
41 0.91378403 -7315.3917 0.0014180645
42 0.9332931 -7315.3917 0.0014836425
43 0.95271397 -7315.3917 0.0015506588
44 0.97191405 -7315.3917 0.0016191104
45 0.99124789 -7315.3917 0.0016889941
46 1.0105989 -7315.3917 0.0017603069
47 1.0299561 -7315.3917 0.0018330457
48 1.049159 -7315.3917 0.0019072073
49 1.0683911 -7315.3916 0.0019827887
50 1.113493 -7315.3916 0.0020597866
51 1.1326849 -7315.3916 0.002138198
52 1.151983 -7315.3916 0.0022180196
53 1.1710961 -7315.3916 0.0022992484
54 1.1904321 -7315.3916 0.0023818813
55 1.209749 -7315.3916 0.0024659149
56 1.229104 -7315.3916 0.0025513463
57 1.2484779 -7315.3916 0.0026381721
58 1.2675929 -7315.3916 0.0027263893
59 1.2869201 -7315.3916 0.0028159946
60 1.3142309 -7315.3916 0.0029069848
61 1.333354 -7315.3916 0.0029993569
62 1.3524561 -7315.3916 0.0030931075
63 1.371593 -7315.3915 0.0031882335
64 1.390677 -7315.3915 0.0032847318
65 1.4097979 -7315.3915 0.0033825991
66 1.428925 -7315.3915 0.0034818323
67 1.448029 -7315.3915 0.0035824284
68 1.4671109 -7315.3915 0.0036843841
69 1.4864471 -7315.3915 0.0037876964
70 1.5136731 -7315.3915 0.0038923623
71 1.532871 -7315.3915 0.0039983787
72 1.551851 -7315.3915 0.0041057427
73 1.570914 -7315.3915 0.0042144511
74 1.5901229 -7315.3915 0.0043245012
75 1.6094091 -7315.3915 0.0044358899
76 1.6286719 -7315.3914 0.0045486143
77 1.6478851 -7315.3914 0.0046626717
78 1.6670699 -7315.3914 0.0047780591
79 1.6863949 -7315.3914 0.0048947738
80 1.7136631 -7315.3914 0.0050128131
81 1.732837 -7315.3914 0.005132174
82 1.7520981 -7315.3914 0.0052528541
83 1.771261 -7315.3914 0.0053748505
84 1.7903349 -7315.3914 0.0054981606
85 1.809546 -7315.3914 0.0056227818
86 1.828737 -7315.3913 0.0057487114
87 1.84797 -7315.3913 0.0058759467
88 1.867177 -7315.3913 0.0060044851
89 1.886137 -7315.3913 0.006134324
90 1.9133451 -7315.3913 0.0062654606
91 1.9328151 -7315.3913 0.0063978923
92 1.9521151 -7315.3913 0.0065316164
93 1.971194 -7315.3913 0.0066666301
94 1.9902289 -7315.3913 0.0068029305
95 2.0092449 -7315.3913 0.006940515
96 2.028266 -7315.3912 0.0070793805
97 2.0472829 -7315.3912 0.0072195241
98 2.0666311 -7315.3912 0.0073609428
99 2.0860569 -7315.3912 0.0075036336
100 2.131038 -7315.3912 0.0076475932
101 2.170507 -7315.3912 0.0077928183
102 2.209919 -7315.3912 0.0079393056
103 2.2493899 -7315.3912 0.0080870517
104 2.2686689 -7315.3912 0.0082360529
105 2.287905 -7315.3911 0.0083863055
106 2.307122 -7315.3911 0.0085378058
107 2.326169 -7315.3911 0.0086905498
108 2.345423 -7315.3911 0.0088445335
109 2.3645289 -7315.3911 0.0089997527
110 2.391752 -7315.3911 0.0091562032
111 2.4108551 -7315.3911 0.0093138804
112 2.4301839 -7315.3911 0.00947278
113 2.4496191 -7315.3911 0.0096328972
114 2.4687431 -7315.391 0.0097942273
115 2.4879961 -7315.391 0.0099567653
116 2.5073509 -7315.391 0.010120506
117 2.5264101 -7315.391 0.010285445
118 2.545517 -7315.391 0.010451576
119 2.564666 -7315.391 0.010618895
120 2.591918 -7315.391 0.010787395
121 2.611434 -7315.391 0.010957072
122 2.6307261 -7315.3909 0.011127918
123 2.660111 -7315.3909 0.01129993
124 2.699363 -7315.3909 0.0114731
125 2.7390079 -7315.3909 0.011647424
126 2.7684009 -7315.3909 0.011822894
127 2.7875719 -7315.3909 0.011999506
128 2.8068681 -7315.3909 0.012177252
129 2.8261819 -7315.3908 0.012356127
130 2.853421 -7315.3908 0.012536125
131 2.887692 -7315.3908 0.012717239
132 2.906919 -7315.3908 0.012899462
133 2.926064 -7315.3908 0.01308279
134 2.9649971 -7315.3908 0.013267215
135 2.9841509 -7315.3908 0.01345273
136 3.0033791 -7315.3908 0.01363933
137 3.022562 -7315.3907 0.013827009
138 3.0419171 -7315.3907 0.014015759
139 3.0611351 -7315.3907 0.014205574
140 3.0883851 -7315.3907 0.014396449
141 3.107774 -7315.3907 0.014588376
142 3.1270881 -7315.3907 0.014781349
143 3.1463561 -7315.3907 0.014975362
144 3.1752579 -7315.3906 0.015170409
145 3.1943791 -7315.3906 0.015366482
146 3.213474 -7315.3906 0.015563577
147 3.232794 -7315.3906 0.015761685
148 3.251838 -7315.3906 0.015960802
149 3.27089 -7315.3906 0.01616092
150 3.3358159 -7315.3905 0.016362034
151 3.3552041 -7315.3905 0.016564137
152 3.3840611 -7315.3905 0.016767223
153 3.403399 -7315.3905 0.016971286
154 3.4327409 -7315.3905 0.017176319
155 3.4721379 -7315.3905 0.017382317
156 3.51144 -7315.3905 0.017589273
157 3.5508461 -7315.3904 0.01779718
158 3.6012521 -7315.3904 0.018006034
159 3.6205709 -7315.3904 0.018215827
160 3.647836 -7315.3904 0.018426554
161 3.666923 -7315.3904 0.018638208
162 3.6860781 -7315.3904 0.018850784
163 3.70523 -7315.3903 0.019064276
164 3.7246921 -7315.3903 0.019278677
165 3.7440929 -7315.3903 0.019493981
166 3.7632649 -7315.3903 0.019710184
167 3.782474 -7315.3903 0.019927278
168 3.811584 -7315.3903 0.020145259
169 3.8307719 -7315.3902 0.02036412
170 3.858043 -7315.3902 0.020583855
171 3.877269 -7315.3902 0.02080446
172 3.8963931 -7315.3902 0.021025928
173 3.9158499 -7315.3902 0.021248253
174 3.9549229 -7315.3902 0.021471431
175 3.97403 -7315.3901 0.021695456
176 3.99336 -7315.3901 0.021920323
177 4.0226791 -7315.3901 0.022146026
178 4.0417719 -7315.3901 0.022372559
179 4.0711291 -7315.3901 0.022599919
180 4.1283059 -7315.3901 0.0228281
181 4.1574271 -7315.39 0.023057097
182 4.1967211 -7315.39 0.023286904
183 4.2357929 -7315.39 0.023517518
184 4.2549279 -7315.39 0.023748934
185 4.2741671 -7315.39 0.023981146
186 4.293448 -7315.3899 0.024214151
187 4.312577 -7315.3899 0.024447944
188 4.3318939 -7315.3899 0.024682521
189 4.351155 -7315.3899 0.024917876
190 4.378459 -7315.3899 0.025154007
191 4.3977449 -7315.3898 0.025390909
192 4.416995 -7315.3898 0.025628577
193 4.436002 -7315.3898 0.025867009
194 4.4553509 -7315.3898 0.026106199
195 4.474432 -7315.3898 0.026346144
196 4.493752 -7315.3897 0.026586841
197 4.5127749 -7315.3897 0.026828285
198 4.5318389 -7315.3897 0.027070473
199 4.551044 -7315.3897 0.0273134
200 4.5961249 -7315.3897 0.027557065
201 4.615582 -7315.3896 0.027801461
202 4.6350539 -7315.3896 0.028046587
203 4.6545019 -7315.3896 0.028292439
204 4.6736569 -7315.3896 0.028539012
205 4.692786 -7315.3896 0.028786304
206 4.7119069 -7315.3895 0.02903431
207 4.7311051 -7315.3895 0.029283027
208 4.750144 -7315.3895 0.029532451
209 4.7693639 -7315.3895 0.029782578
210 4.796798 -7315.3895 0.030033406
211 4.8159349 -7315.3894 0.030284929
212 4.8351769 -7315.3894 0.030537145
213 4.854425 -7315.3894 0.030790049
214 4.8735471 -7315.3894 0.031043637
215 4.8928139 -7315.3894 0.031297905
216 4.912183 -7315.3893 0.03155285
217 4.9312871 -7315.3893 0.031808467
218 4.950629 -7315.3893 0.032064752
219 4.969964 -7315.3893 0.0323217
220 4.997061 -7315.3892 0.032579308
221 5.01616 -7315.3892 0.032837571
222 5.035552 -7315.3892 0.033096484
223 5.05461 -7315.3892 0.033356043
224 5.0738361 -7315.3891 0.033616243
225 5.093034 -7315.3891 0.03387708
226 5.1316481 -7315.3891 0.034138548
227 5.171031 -7315.3891 0.034400644
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655 16.997403 -7315.3716 0.1624415
656 17.016728 -7315.3716 0.16271851
657 17.035799 -7315.3715 0.16299519
658 17.055195 -7315.3715 0.16327155
659 17.074527 -7315.3714 0.16354758
660 17.101619 -7315.3713 0.16382329
661 17.120906 -7315.3713 0.16409866
662 17.139931 -7315.3712 0.16437371
663 17.159054 -7315.3712 0.16464842
664 17.178457 -7315.3711 0.16492281
665 17.197754 -7315.3711 0.16519686
666 17.217023 -7315.371 0.16547058
667 17.236142 -7315.371 0.16574397
668 17.255194 -7315.3709 0.16601702
669 17.274243 -7315.3709 0.16628974
670 17.3016 -7315.3708 0.16656212
671 17.320743 -7315.3708 0.16683416
672 17.339995 -7315.3707 0.16710586
673 17.359123 -7315.3706 0.16737722
674 17.378196 -7315.3706 0.16764824
675 17.397389 -7315.3705 0.16791891
676 17.416494 -7315.3705 0.16818925
677 17.43557 -7315.3704 0.16845923
678 17.454721 -7315.3704 0.16872887
679 17.474023 -7315.3703 0.16899816
680 17.501332 -7315.3703 0.1692671
681 17.520561 -7315.3702 0.16953569
682 17.539877 -7315.3702 0.16980393
683 17.559018 -7315.3701 0.17007181
684 17.578386 -7315.37 0.17033933
685 17.59727 -7315.37 0.17060649
686 17.616262 -7315.3699 0.1708733
687 17.635156 -7315.3699 0.17113974
688 17.65442 -7315.3698 0.17140581
689 17.673802 -7315.3698 0.17167152
690 17.701031 -7315.3697 0.17193686
691 17.720397 -7315.3697 0.17220183
692 17.739496 -7315.3696 0.17246642
693 17.758616 -7315.3696 0.17273064
694 17.777701 -7315.3695 0.17299447
695 17.796731 -7315.3694 0.17325793
696 17.816047 -7315.3694 0.173521
697 17.835174 -7315.3693 0.17378368
698 17.854213 -7315.3693 0.17404597
699 17.873423 -7315.3692 0.17430787
700 17.918474 -7315.3692 0.17456936
701 17.93781 -7315.3691 0.17483046
702 17.956863 -7315.3691 0.17509116
703 17.976001 -7315.369 0.17535145
704 17.995272 -7315.3689 0.17561133
705 18.014611 -7315.3689 0.1758708
706 18.03354 -7315.3688 0.17612985
707 18.052931 -7315.3688 0.17638849
708 18.071881 -7315.3687 0.1766467
709 18.091214 -7315.3687 0.17690448
710 18.118446 -7315.3686 0.17716183
711 18.137727 -7315.3686 0.17741876
712 18.156993 -7315.3685 0.17767524
713 18.17606 -7315.3684 0.17793129
714 18.195181 -7315.3684 0.17818689
715 18.214514 -7315.3683 0.17844205
716 18.233516 -7315.3683 0.17869675
717 18.252793 -7315.3682 0.17895101
718 18.272086 -7315.3682 0.17920481
719 18.291055 -7315.3681 0.17945815
720 18.318017 -7315.368 0.17971103
721 18.337099 -7315.368 0.17996344
722 18.356392 -7315.3679 0.18021538
723 18.37548 -7315.3679 0.18046686
724 18.394441 -7315.3678 0.18071786
725 18.413484 -7315.3678 0.18096838
726 18.432545 -7315.3677 0.18121842
727 18.451649 -7315.3676 0.18146799
728 18.470744 -7315.3676 0.18171706
729 18.489751 -7315.3675 0.18196565
730 18.546174 -7315.3675 0.18221375
731 18.585989 -7315.3674 0.18246136
732 18.827524 -7315.3674 0.18270847
733 19.077571 -7315.3673 0.18295508
734 19.11671 -7315.3672 0.1832012
735 19.13864 -7315.3672 0.18344681
736 19.157903 -7315.3671 0.18369192
737 19.177354 -7315.3671 0.18393653
738 19.196618 -7315.367 0.18418062
739 19.215967 -7315.367 0.18442421
740 19.243265 -7315.3669 0.18466728
741 19.262576 -7315.3669 0.18490984
742 19.282072 -7315.3668 0.18515188
743 19.301591 -7315.3667 0.18539341
744 19.321009 -7315.3667 0.18563442
745 19.340513 -7315.3666 0.1858749
746 19.359637 -7315.3666 0.18611487
747 19.379063 -7315.3665 0.1863543
748 19.398552 -7315.3664 0.18659321
749 19.418033 -7315.3664 0.1868316
750 19.463246 -7315.3663 0.18706945
751 19.482811 -7315.3663 0.18730677
752 19.501961 -7315.3662 0.18754356
753 19.521397 -7315.3662 0.18777982
754 19.540628 -7315.3661 0.18801554
755 19.559778 -7315.366 0.18825072
756 19.579065 -7315.366 0.18848536
757 19.598246 -7315.3659 0.18871946
758 19.617438 -7315.3659 0.18895302
759 19.636786 -7315.3658 0.18918604
760 19.663987 -7315.3658 0.18941851
761 19.683377 -7315.3657 0.18965044
762 19.702521 -7315.3656 0.18988182
763 19.721784 -7315.3656 0.19011264
764 19.741268 -7315.3655 0.19034292
765 19.760748 -7315.3655 0.19057265
766 19.780279 -7315.3654 0.19080182
767 19.79951 -7315.3654 0.19103044
768 19.818838 -7315.3653 0.1912585
769 19.838143 -7315.3652 0.19148601
770 19.86544 -7315.3652 0.19171296
771 19.884628 -7315.3651 0.19193934
772 19.903972 -7315.3651 0.19216517
773 19.923017 -7315.365 0.19239044
774 19.942518 -7315.365 0.19261514
775 19.961668 -7315.3649 0.19283927
776 19.981003 -7315.3648 0.19306284
777 20.000148 -7315.3648 0.19328584
778 20.019592 -7315.3647 0.19350828
779 20.039117 -7315.3647 0.19373014
780 20.066407 -7315.3646 0.19395143
781 20.08588 -7315.3645 0.19417215
782 20.105448 -7315.3645 0.19439229
783 20.124657 -7315.3644 0.19461186
784 20.143844 -7315.3644 0.19483084
785 20.163165 -7315.3643 0.19504925
786 20.182582 -7315.3643 0.19526708
787 20.202072 -7315.3642 0.19548433
788 20.2215 -7315.3641 0.19570099
789 20.240934 -7315.3641 0.19591706
790 20.268281 -7315.364 0.19613255
791 20.287577 -7315.364 0.19634745
792 20.306912 -7315.3639 0.19656175
793 20.326363 -7315.3639 0.19677546
794 20.345582 -7315.3638 0.19698857
795 20.365126 -7315.3637 0.19720108
796 20.384766 -7315.3637 0.19741299
797 20.404047 -7315.3636 0.1976243
798 20.423219 -7315.3636 0.197835
799 20.44268 -7315.3635 0.19804509
800 20.487753 -7315.3635 0.19825457
801 20.50747 -7315.3634 0.19846343
802 20.526741 -7315.3633 0.19867167
803 20.546136 -7315.3633 0.19887929
804 20.565665 -7315.3632 0.19908629
805 20.585244 -7315.3632 0.19929266
806 20.604493 -7315.3631 0.1994984
807 20.623844 -7315.3631 0.1997035
808 20.643253 -7315.363 0.19990796
809 20.662668 -7315.3629 0.20011178
810 20.690004 -7315.3629 0.20031496
811 20.709504 -7315.3628 0.20051749
812 20.728862 -7315.3628 0.20071936
813 20.748414 -7315.3627 0.20092058
814 20.767764 -7315.3626 0.20112113
815 20.787229 -7315.3626 0.20132103
816 20.806524 -7315.3625 0.20152025
817 20.825885 -7315.3625 0.2017188
818 20.845331 -7315.3624 0.20191667
819 20.864778 -7315.3624 0.20211386
820 20.892068 -7315.3623 0.20231036
821 20.911479 -7315.3622 0.20250618
822 20.930797 -7315.3622 0.2027013
823 20.95019 -7315.3621 0.20289573
824 20.969547 -7315.3621 0.20308946
825 20.989028 -7315.362 0.20328247
826 21.008526 -7315.362 0.20347478
827 21.027709 -7315.3619 0.20366638
828 21.047024 -7315.3618 0.20385726
829 21.066278 -7315.3618 0.20404742
830 21.09385 -7315.3617 0.20423685
831 21.113419 -7315.3617 0.20442555
832 21.13257 -7315.3616 0.20461352
833 21.151779 -7315.3616 0.20480075
834 21.170966 -7315.3615 0.20498725
835 21.190448 -7315.3614 0.205173
836 21.209818 -7315.3614 0.205358
837 21.229287 -7315.3613 0.20554225
838 21.248631 -7315.3613 0.20572574
839 21.268038 -7315.3612 0.20590848
840 21.295328 -7315.3612 0.20609045
841 21.314773 -7315.3611 0.20627166
842 21.334227 -7315.361 0.2064521
843 21.35363 -7315.361 0.20663177
844 21.373085 -7315.3609 0.20681066
845 21.39258 -7315.3609 0.20698878
846 21.41173 -7315.3608 0.20716611
847 21.430829 -7315.3608 0.20734266
848 21.450278 -7315.3607 0.20751842
849 21.469509 -7315.3606 0.20769339
850 21.514753 -7315.3606 0.20786757
851 21.534113 -7315.3605 0.20804095
852 21.553341 -7315.3605 0.20821353
853 21.572662 -7315.3604 0.2083853
854 21.592071 -7315.3604 0.20855628
855 21.611593 -7315.3603 0.20872644
856 21.631092 -7315.3602 0.20889579
857 21.650495 -7315.3602 0.20906433
858 21.669768 -7315.3601 0.20923205
859 21.689044 -7315.3601 0.20939895
860 21.716292 -7315.36 0.20956503
861 21.735822 -7315.3599 0.20973029
862 21.754959 -7315.3599 0.20989472
863 21.774168 -7315.3598 0.21005832
864 21.793584 -7315.3598 0.21022108
865 21.812947 -7315.3597 0.21038301
866 21.831994 -7315.3597 0.21054411
867 21.851528 -7315.3596 0.21070436
868 21.870844 -7315.3595 0.21086378
869 21.889987 -7315.3595 0.21102234
870 21.917188 -7315.3594 0.21118007
871 21.936429 -7315.3594 0.21133694
872 21.955844 -7315.3593 0.21149296
873 21.975269 -7315.3593 0.21164813
874 21.994686 -7315.3592 0.21180245
875 22.014019 -7315.3591 0.2119559
876 22.033359 -7315.3591 0.2121085
877 22.052655 -7315.359 0.21226024
878 22.072054 -7315.359 0.21241111
879 22.091503 -7315.3589 0.21256112
880 22.11892 -7315.3588 0.21271026
881 22.13843 -7315.3588 0.21285853
882 22.158011 -7315.3587 0.21300594
883 22.177217 -7315.3587 0.21315246
884 22.196531 -7315.3586 0.21329812
885 22.215939 -7315.3586 0.2134429
886 22.235151 -7315.3585 0.2135868
887 22.254361 -7315.3584 0.21372982
888 22.273514 -7315.3584 0.21387196
889 22.292842 -7315.3583 0.21401322
890 22.320112 -7315.3583 0.21415359
891 22.339585 -7315.3582 0.21429308
892 22.359113 -7315.3581 0.21443167
893 22.378344 -7315.3581 0.21456938
894 22.397827 -7315.358 0.2147062
895 22.417186 -7315.358 0.21484212
896 22.436508 -7315.3579 0.21497714
897 22.455756 -7315.3579 0.21511127
898 22.475167 -7315.3578 0.2152445
899 22.494379 -7315.3577 0.21537683
900 22.539499 -7315.3577 0.21550825
901 22.559157 -7315.3576 0.21563876
902 22.578662 -7315.3576 0.21576837
903 22.598159 -7315.3575 0.21589707
904 22.617805 -7315.3574 0.21602485
905 22.637171 -7315.3574 0.21615172
906 22.656537 -7315.3573 0.21627767
907 22.675689 -7315.3573 0.2164027
908 22.694852 -7315.3572 0.21652681
909 22.713932 -7315.3572 0.21664999
910 22.741224 -7315.3571 0.21677224
911 22.760647 -7315.357 0.21689356
912 22.780042 -7315.357 0.21701394
913 22.799492 -7315.3569 0.21713339
914 22.818927 -7315.3569 0.21725189
915 22.838109 -7315.3568 0.21736946
916 22.857511 -7315.3567 0.21748607
917 22.876655 -7315.3567 0.21760173
918 22.896031 -7315.3566 0.21771644
919 22.915533 -7315.3566 0.21783019
920 22.942897 -7315.3565 0.21794298
921 22.962116 -7315.3564 0.2180548
922 22.981351 -7315.3564 0.21816566
923 23.000816 -7315.3563 0.21827554
924 23.019956 -7315.3563 0.21838445
925 23.039512 -7315.3562 0.21849238
926 23.059016 -7315.3561 0.21859933
927 23.07833 -7315.3561 0.21870529
928 23.097865 -7315.356 0.21881025
929 23.117324 -7315.356 0.21891423
930 23.144556 -7315.3559 0.2190172
931 23.163819 -7315.3558 0.21911918
932 23.183193 -7315.3558 0.21922015
933 23.202508 -7315.3557 0.21932011
934 23.222039 -7315.3557 0.21941906
935 23.241391 -7315.3556 0.21951699
936 23.260669 -7315.3556 0.2196139
937 23.280008 -7315.3555 0.21970979
938 23.299493 -7315.3554 0.21980465
939 23.319009 -7315.3554 0.21989848
940 23.346213 -7315.3553 0.21999128
941 23.365457 -7315.3553 0.22008304
942 23.384661 -7315.3552 0.22017376
943 23.40387 -7315.3551 0.22026344
944 23.42305 -7315.3551 0.22035207
945 23.442407 -7315.355 0.22043965
946 23.461691 -7315.355 0.22052618
947 23.481078 -7315.3549 0.22061165
948 23.500508 -7315.3548 0.22069606
949 23.519737 -7315.3548 0.22077941
950 23.564808 -7315.3547 0.2208617
951 23.58445 -7315.3547 0.22094292
952 23.603856 -7315.3546 0.22102306
953 23.623221 -7315.3545 0.22110214
954 23.642785 -7315.3545 0.22118014
955 23.662046 -7315.3544 0.22125706
956 23.68106 -7315.3544 0.2213329
957 23.700318 -7315.3543 0.22140765
958 23.719575 -7315.3542 0.22148132
959 23.738991 -7315.3542 0.22155391
960 23.766259 -7315.3541 0.2216254
961 23.785721 -7315.3541 0.2216958
962 23.804907 -7315.354 0.2217651
963 23.824423 -7315.3539 0.22183331
964 23.843675 -7315.3539 0.22190042
965 23.862933 -7315.3538 0.22196643
966 23.882365 -7315.3538 0.22203133
967 23.901841 -7315.3537 0.22209513
968 23.920965 -7315.3536 0.22215783
969 23.940323 -7315.3536 0.22221941
970 23.967515 -7315.3535 0.22227989
971 23.986667 -7315.3535 0.22233925
972 24.005794 -7315.3534 0.2223975
973 24.025204 -7315.3533 0.22245464
974 24.044359 -7315.3533 0.22251066
975 24.063584 -7315.3532 0.22256556
976 24.08291 -7315.3532 0.22261935
977 24.102487 -7315.3531 0.22267201
978 24.121781 -7315.353 0.22272356
979 24.141191 -7315.353 0.22277398
980 24.168478 -7315.3529 0.22282328
981 24.187842 -7315.3529 0.22287146
982 24.207093 -7315.3528 0.22291852
983 24.22637 -7315.3527 0.22296445
984 24.245633 -7315.3527 0.22300925
985 24.265051 -7315.3526 0.22305293
986 24.284477 -7315.3526 0.22309548
987 24.303713 -7315.3525 0.2231369
988 24.323063 -7315.3524 0.2231772
989 24.342475 -7315.3524 0.22321637
990 24.399724 -7315.3523 0.22325442
991 24.438972 -7315.3523 0.22329133
992 24.478227 -7315.3522 0.22332712
993 24.497662 -7315.3521 0.22336179
994 24.516998 -7315.3521 0.22339532
995 24.536487 -7315.352 0.22342773
996 24.555683 -7315.352 0.22345901
997 24.574841 -7315.3519 0.22348916
998 24.593963 -7315.3518 0.22351819
999 24.623181 -7315.3518 0.22354609
1000 24.668584 -7315.3517 0.22357286
Loop time of 24.6686 on 4 procs for 1000 steps with 1008 atoms
Pair time (%) = 3.19649 (12.9577)
Neigh time (%) = 0.158155 (0.641118)
Comm time (%) = 0.435092 (1.76375)
Outpt time (%) = 0.723749 (2.93389)
Other time (%) = 20.1551 (81.7035)
Nlocal: 252 ave 256 max 248 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Nghost: 103 ave 140 max 68 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs: 15183 ave 15624 max 14492 min
Histogram: 1 0 0 0 1 0 0 0 0 2
Total # of neighbors = 60732
Ave neighs/atom = 60.25
Neighbor list builds = 100
Dangerous builds = 0
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