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lammps/examples/USER/atc/bar1d_two_temperature/bar1d_ttm.log
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LAMMPS (7 Jul 2009)
# in this example the electron temperature on the left is ramped up in time
# and held fixed on the right. the phonon temperature is free on the left
# and fixed and consistent with the electron temperature on the right.
# this mimics some simplified pumped system
# also a volume source is added to mimic Joule heating
#echo both
# units
units real
atom_style atomic
# create domain
#lattice type reduced density rho* = 4*(sigma/a)^3,
# where N = 4 for fcc,
# s = 3.405 A (Wagner)
# a = 5.25 A (Ashcroft & Mermin, p. 70)
#if {restart}
boundary f p p
pair_style lj/cut 13.5
read_data temp.init
orthogonal box = (-64.86 -16.215 -16.215) to (64.86 16.215 16.215)
1 by 1 by 1 processor grid
3456 atoms
3456 velocities
#endif
lattice fcc 5.405 origin 0.25 0.25 0.25
Lattice spacing in x,y,z = 5.405 5.405 5.405
region feRegion block -14 14 -3 3 -3 3
region mdRegion block -12 12 -3 3 -3 3
region mdInternal block -10 10 -3 3 -3 3
# NOTE: don't define ghosts if they are outside the feRegion
group internal region mdInternal
2880 atoms in group internal
group ghost subtract all internal
576 atoms in group ghost
# create atoms
#if !{restart}
#boundary f p p
#create_box 1 mdRegion
#create_atoms 1 region mdRegion
#mass 1 39.95
#pair_style lj/cut 13.5
#pair_coeff 1 1 .238 3.405 13.5
#velocity internal create 40 87287 mom yes loop geom
#endif
# timestep & neighboring
timestep 5.0
thermo 10
neighbor 5. bin
neigh_modify every 10 delay 0 check no
# ID group atc PhysicsType ParameterFile
fix AtC internal atc two_temperature Ar_ttm.mat
# ID part keywords nx ny nz region
fix_modify AtC fem create mesh 14 1 1 feRegion f p p
# specify atom types for the atc fix
#fix_modify AtC transfer internal type internal
fix_modify AtC transfer boundary type ghost
# fix initial temperatures
#if !{restart}
#velocity internal create 40 87287 mom yes loop geom
#endif
fix_modify AtC transfer initial temperature all 20
fix_modify AtC transfer fix temperature all 20
fix_modify AtC transfer initial electron_temperature all 20
fix_modify AtC transfer fix electron_temperature all 20
# equilibrate MD field with rescale
fix_modify AtC extrinsic exchange off
fix_modify AtC transfer thermal control rescale 10
#if !{restart}
#run 1000
#endif
# change thermostat
fix_modify AtC extrinsic exchange on
fix_modify AtC transfer unfix temperature all
fix_modify AtC transfer unfix electron_temperature all
# note does not handle "inf"s
#fix_modify AtC mesh create_faceset bndy -8 8 inf inf inf inf
fix_modify AtC mesh create_faceset bndy box -10 10 -10 10 -10 10
fix_modify AtC transfer thermal control flux faceset bndy
# .. this controls the time filtering ....
#fix_modify AtC transfer filter scale 500.0
# add nodesets & boundary temperature controls
# ID mesh create_nodeset tag xmin xmax ymin ymax zmin zmax
# NOTE create_nodeset doesn't handle "inf"
fix_modify AtC mesh create_nodeset lbc -14.1 -13.9 -6 6 -6 6
fix_modify AtC mesh create_nodeset rbc 13.9 14.1 -6 6 -6 6
fix_modify AtC transfer fix electron_temperature lbc 40.
fix_modify AtC transfer fix electron_temperature rbc 20.
fix_modify AtC transfer fix temperature rbc 20.
#fix_modify AtC transfer source electron_temperature all 0.0015
fix_modify AtC transfer source electron_temperature all 9.50445e-11
# output filename frequency [text output]
fix_modify AtC transfer output bar1d_ttmFE 100 text
# run transient to steady state
thermo 10
reset_timestep 0
run 4000
Memory usage per processor = 20.4457 Mbytes
Step Temp E_pair E_mol TotEng Press
0 16.671491 -6505.7593 0 -6334.0647 -1236.2423
10 16.651705 -6505.5537 0 -6334.0628 -1236.063
20 16.530158 -6504.2726 0 -6334.0335 -1232.9374
30 16.484745 -6503.7602 0 -6333.9888 -1231.0691
40 16.543953 -6504.3215 0 -6333.9403 -1231.4891
50 16.594988 -6504.7418 0 -6333.835 -1231.8556
60 16.569044 -6504.3689 0 -6333.7293 -1230.7731
70 16.505629 -6503.6163 0 -6333.6298 -1229.1909
80 16.499955 -6503.4447 0 -6333.5166 -1229.1002
90 16.523227 -6503.6042 0 -6333.4365 -1229.6937
100 16.508157 -6503.3717 0 -6333.3591 -1229.2842
110 16.515733 -6503.374 0 -6333.2834 -1229.1993
120 16.568236 -6503.8632 0 -6333.2319 -1230.0834
130 16.554884 -6503.675 0 -6333.1812 -1229.6144
140 16.473429 -6502.736 0 -6333.0811 -1227.7486
150 16.469794 -6502.5514 0 -6332.934 -1227.607
160 16.579831 -6503.5343 0 -6332.7836 -1229.6567
170 16.624378 -6503.8396 0 -6332.6301 -1229.6114
180 16.501732 -6502.377 0 -6332.4306 -1225.3556
190 16.388366 -6500.9672 0 -6332.1884 -1221.4971
200 16.484582 -6501.7504 0 -6331.9806 -1223.1577
210 16.699214 -6503.7792 0 -6331.799 -1228.2052
220 16.791874 -6504.548 0 -6331.6136 -1230.5561
230 16.748075 -6503.9202 0 -6331.4368 -1229.213
240 16.665833 -6502.8491 0 -6331.2127 -1226.4072
250 16.621232 -6502.1717 0 -6330.9946 -1224.5041
260 16.658091 -6502.3535 0 -6330.7969 -1224.89
270 16.739152 -6502.9658 0 -6330.5744 -1226.6051
280 16.804835 -6503.4492 0 -6330.3813 -1227.9296
290 16.798717 -6503.126 0 -6330.121 -1227.0917
300 16.696278 -6501.8014 0 -6329.8514 -1223.5739
310 16.591095 -6500.3987 0 -6329.532 -1219.6969
320 16.562079 -6499.7687 0 -6329.2009 -1217.6605
330 16.629333 -6500.1646 0 -6328.9041 -1218.1376
340 16.735568 -6500.9667 0 -6328.6121 -1219.8673
350 16.848974 -6501.8919 0 -6328.3694 -1222.1931
360 16.98713 -6503.0922 0 -6328.1469 -1225.3572
370 17.06977 -6503.7257 0 -6327.9293 -1227.2193
380 16.971691 -6502.4327 0 -6327.6463 -1224.4904
390 16.743361 -6499.7176 0 -6327.2828 -1218.0682
400 16.574649 -6497.518 0 -6326.8207 -1212.3628
410 16.56711 -6496.9847 0 -6326.3651 -1210.1976
420 16.671542 -6497.6307 0 -6325.9355 -1210.9062
430 16.808348 -6498.617 0 -6325.5129 -1212.8599
440 16.918663 -6499.3855 0 -6325.1453 -1214.7492
450 16.998348 -6499.8258 0 -6324.7649 -1216.1894
460 17.101907 -6500.4972 0 -6324.3698 -1217.98
470 17.199306 -6501.0962 0 -6323.9657 -1219.0689
480 17.133501 -6500.0357 0 -6323.5829 -1216.0406
490 16.939851 -6497.6902 0 -6323.2317 -1210.2749
500 16.919105 -6497.0735 0 -6322.8287 -1209.1143
510 17.178498 -6499.3244 0 -6322.4083 -1215.1868
520 17.48021 -6502.0287 0 -6322.0053 -1222.3728
530 17.559531 -6502.438 0 -6321.5977 -1223.4739
540 17.38932 -6500.2923 0 -6321.2049 -1217.4934
550 17.142234 -6497.3094 0 -6320.7667 -1209.0997
560 17.01647 -6495.5092 0 -6320.2617 -1204.0898
570 17.150938 -6496.3914 0 -6319.7591 -1206.2366
580 17.393162 -6498.4183 0 -6319.2914 -1211.65
590 17.504817 -6499.1265 0 -6318.8497 -1213.8141
600 17.500349 -6498.6418 0 -6318.411 -1212.1111
610 17.406024 -6497.2206 0 -6317.9612 -1207.3661
620 17.220843 -6494.8037 0 -6317.4514 -1200.5909
630 17.102363 -6493.032 0 -6316.8999 -1196.203
640 17.148333 -6492.9097 0 -6316.3042 -1196.5894
650 17.311596 -6493.9994 0 -6315.7125 -1200.1099
660 17.48294 -6495.2118 0 -6315.1602 -1203.3122
670 17.519633 -6495.0681 0 -6314.6387 -1202.4983
680 17.457125 -6493.9797 0 -6314.194 -1198.8656
690 17.470863 -6493.6507 0 -6313.7235 -1197.0165
700 17.576148 -6494.2454 0 -6313.2339 -1197.8281
710 17.697902 -6495.025 0 -6312.7596 -1199.4344
720 17.743065 -6494.9543 0 -6312.2238 -1199.2455
730 17.699788 -6493.9456 0 -6311.6608 -1196.7949
740 17.627877 -6492.6298 0 -6311.0856 -1193.4101
750 17.550154 -6491.244 0 -6310.5002 -1189.7954
760 17.539095 -6490.5769 0 -6309.947 -1187.8995
770 17.673363 -6491.4351 0 -6309.4225 -1189.7523
780 17.882147 -6493.062 0 -6308.8991 -1193.7188
790 18.00966 -6493.8707 0 -6308.3947 -1195.8005
800 17.980583 -6493.0714 0 -6307.8948 -1193.6851
810 17.825824 -6490.9588 0 -6307.376 -1188.1017
820 17.692317 -6489.0401 0 -6306.8322 -1183.0295
830 17.710419 -6488.6573 0 -6306.2631 -1181.9387
840 17.808262 -6489.0855 0 -6305.6836 -1183.0468
850 17.829578 -6488.7143 0 -6305.0928 -1182.1899
860 17.771342 -6487.5008 0 -6304.4791 -1179.1217
870 17.820295 -6487.3695 0 -6303.8436 -1178.575
880 18.063537 -6489.2637 0 -6303.2327 -1183.0663
890 18.369284 -6491.8496 0 -6302.6699 -1189.4275
900 18.525872 -6492.9961 0 -6302.2037 -1192.342
910 18.472235 -6492.0343 0 -6301.7943 -1190.0811
920 18.372321 -6490.5617 0 -6301.3507 -1186.1654
930 18.288123 -6489.2163 0 -6300.8724 -1181.9829
940 18.096622 -6486.6631 0 -6300.2914 -1174.8569
950 17.882153 -6483.7861 0 -6299.6232 -1167.0973
960 17.867323 -6482.9268 0 -6298.9166 -1164.4853
970 18.09915 -6484.6345 0 -6298.2368 -1168.6545
980 18.443545 -6487.5728 0 -6297.6283 -1176.2602
990 18.703733 -6489.7042 0 -6297.0801 -1181.8804
1000 18.753218 -6489.6818 0 -6296.548 -1181.8673
1010 18.610779 -6487.6703 0 -6296.0035 -1176.534
1020 18.39336 -6484.8445 0 -6295.4168 -1168.9352
1030 18.247821 -6482.6945 0 -6294.7657 -1162.956
1040 18.27653 -6482.3647 0 -6294.1402 -1161.3767
1050 18.418106 -6483.2621 0 -6293.5796 -1163.05
1060 18.573973 -6484.3115 0 -6293.0237 -1165.571
1070 18.664801 -6484.6987 0 -6292.4755 -1166.7949
1080 18.621552 -6483.6737 0 -6291.896 -1164.8778
1090 18.53927 -6482.1938 0 -6291.2635 -1161.868
1100 18.568833 -6481.8649 0 -6290.6301 -1161.2524
1110 18.683765 -6482.4291 0 -6290.0106 -1162.4768
1120 18.808147 -6483.0831 0 -6289.3837 -1163.5972
1130 18.884946 -6483.3252 0 -6288.8348 -1163.2843
1140 18.846682 -6482.3961 0 -6288.2998 -1160.2541
1150 18.748976 -6480.8337 0 -6287.7436 -1156.1965
1160 18.759994 -6480.3843 0 -6287.1808 -1155.1103
1170 18.901967 -6481.2895 0 -6286.6238 -1157.2721
1180 19.011261 -6481.9017 0 -6286.1104 -1158.6901
1190 19.040255 -6481.7192 0 -6285.6293 -1158.1377
1200 19.106103 -6481.8954 0 -6285.1274 -1158.289
1210 19.229265 -6482.6335 0 -6284.5971 -1159.6899
1220 19.239111 -6482.1951 0 -6284.0573 -1158.6039
1230 19.157688 -6480.7877 0 -6283.4884 -1155.4514
1240 19.174743 -6480.4215 0 -6282.9466 -1154.4926
1250 19.286153 -6481.0811 0 -6282.4589 -1155.5921
1260 19.320062 -6480.9602 0 -6281.9887 -1154.5954
1270 19.190466 -6479.1585 0 -6281.5217 -1149.413
1280 18.995019 -6476.6109 0 -6280.9869 -1142.6018
1290 18.914422 -6475.1574 0 -6280.3635 -1138.9829
1300 19.050226 -6475.8748 0 -6279.6823 -1141.1071
1310 19.272645 -6477.5322 0 -6279.049 -1145.5684
1320 19.357581 -6477.7617 0 -6278.4038 -1146.3936
1330 19.266387 -6476.2235 0 -6277.8047 -1142.4125
1340 19.168211 -6474.5602 0 -6277.1526 -1137.831
1350 19.257232 -6474.8149 0 -6276.4904 -1137.9089
1360 19.550412 -6477.2011 0 -6275.8573 -1143.4638
1370 19.796833 -6479.1494 0 -6275.2678 -1148.551
1380 19.7815 -6478.4409 0 -6274.7172 -1147.5698
1390 19.631575 -6476.3413 0 -6274.1616 -1142.7018
1400 19.521048 -6474.5989 0 -6273.5575 -1138.0212
1410 19.519644 -6473.9613 0 -6272.9343 -1135.7628
1420 19.608168 -6474.2556 0 -6272.317 -1136.0104
1430 19.764525 -6475.2719 0 -6271.723 -1138.215
1440 19.912587 -6476.2047 0 -6271.131 -1140.1734
1450 19.913759 -6475.6003 0 -6270.5145 -1138.3693
1460 19.79157 -6473.6952 0 -6269.8678 -1133.2856
1470 19.714636 -6472.2575 0 -6269.2224 -1129.0564
1480 19.737365 -6471.846 0 -6268.5768 -1127.3107
1490 19.766194 -6471.5403 0 -6267.9742 -1126.1998
1500 19.7696 -6470.9664 0 -6267.3653 -1124.9092
1510 19.827695 -6470.9018 0 -6266.7023 -1124.9431
1520 19.944447 -6471.4439 0 -6266.042 -1126.1254
1530 19.973951 -6471.1382 0 -6265.4325 -1125.053
1540 19.886531 -6469.6311 0 -6264.8257 -1121.0356
1550 19.818466 -6468.3255 0 -6264.221 -1117.3869
1560 19.839194 -6467.8989 0 -6263.5811 -1115.9427
1570 19.921311 -6468.101 0 -6262.9374 -1116.1766
1580 20.015732 -6468.4487 0 -6262.3127 -1116.9107
1590 20.110315 -6468.7904 0 -6261.6803 -1117.8602
1600 20.264876 -6469.7349 0 -6261.0331 -1120.2718
1610 20.380324 -6470.3096 0 -6260.4188 -1121.7548
1620 20.322098 -6469.1089 0 -6259.8178 -1119.0178
1630 20.232717 -6467.5453 0 -6259.1747 -1115.1644
1640 20.313706 -6467.7411 0 -6258.5363 -1115.2943
1650 20.575967 -6469.8346 0 -6257.9289 -1120.0993
1660 20.793996 -6471.5219 0 -6257.3708 -1124.1915
1670 20.736006 -6470.3925 0 -6256.8386 -1121.5447
1680 20.444958 -6466.8331 0 -6256.2767 -1112.7298
1690 20.22674 -6463.9901 0 -6255.681 -1105.0268
1700 20.274891 -6463.902 0 -6255.097 -1103.5997
1710 20.45142 -6465.094 0 -6254.471 -1105.8914
1720 20.56919 -6465.7092 0 -6253.8733 -1107.7881
1730 20.641711 -6465.8219 0 -6253.2392 -1108.9745
1740 20.728211 -6466.1028 0 -6252.6292 -1110.0176
1750 20.722246 -6465.3722 0 -6251.96 -1107.879
1760 20.538713 -6462.7849 0 -6251.2629 -1100.8039
1770 20.35658 -6460.178 0 -6250.5317 -1093.4872
1780 20.411269 -6460.0611 0 -6249.8516 -1092.0689
1790 20.661313 -6461.9598 0 -6249.1752 -1096.0711
1800 20.95287 -6464.3187 0 -6248.5314 -1101.9506
1810 21.25238 -6466.7902 0 -6247.9183 -1108.1806
1820 21.413306 -6467.889 0 -6247.3598 -1110.7541
1830 21.265567 -6465.8163 0 -6246.8086 -1105.462
1840 20.904899 -6461.4789 0 -6246.1856 -1094.6349
1850 20.604956 -6457.7007 0 -6245.4965 -1085.2083
1860 20.577858 -6456.6395 0 -6244.7144 -1082.4955
1870 20.79238 -6458.0326 0 -6243.8981 -1085.8989
1880 21.103689 -6460.5343 0 -6243.1938 -1091.8916
1890 21.349681 -6462.4189 0 -6242.545 -1096.2855
1900 21.424808 -6462.6294 0 -6241.9818 -1096.4936
1910 21.349347 -6461.3082 0 -6241.4377 -1092.941
1920 21.18517 -6459.1076 0 -6240.928 -1087.3369
1930 21.036065 -6457.0235 0 -6240.3794 -1082.2115
1940 21.024255 -6456.3164 0 -6239.794 -1080.5427
1950 21.289969 -6458.4084 0 -6239.1495 -1085.3514
1960 21.667609 -6461.6896 0 -6238.5414 -1092.5154
1970 21.745842 -6461.9113 0 -6237.9574 -1092.2463
1980 21.479887 -6458.5535 0 -6237.3386 -1083.5811
1990 21.293202 -6456.0149 0 -6236.7226 -1076.7027
2000 21.279875 -6455.261 0 -6236.106 -1074.3201
2010 21.209986 -6453.9211 0 -6235.4858 -1071.2596
2020 21.123158 -6452.3385 0 -6234.7975 -1068.0754
2030 21.231892 -6452.7558 0 -6234.0949 -1069.5067
2040 21.508927 -6454.8747 0 -6233.3608 -1074.7487
2050 21.689676 -6456.0738 0 -6232.6984 -1077.5956
2060 21.647006 -6455.0083 0 -6232.0723 -1075.0067
2070 21.595825 -6453.8924 0 -6231.4835 -1072.0624
2080 21.722464 -6454.6421 0 -6230.929 -1073.3487
2090 21.936202 -6456.321 0 -6230.4066 -1076.6812
2100 21.94343 -6455.8658 0 -6229.877 -1075.0841
2110 21.710389 -6452.8983 0 -6229.3096 -1067.7357
2120 21.539354 -6450.4365 0 -6228.6092 -1061.8052
2130 21.625914 -6450.5981 0 -6227.8793 -1062.4766
2140 21.960668 -6453.3298 0 -6227.1635 -1069.5494
2150 22.310957 -6456.2864 0 -6226.5125 -1077.1038
2160 22.442785 -6457.0871 0 -6225.9556 -1078.9487
2170 22.307481 -6455.1658 0 -6225.4278 -1073.5529
2180 22.01895 -6451.6169 0 -6224.8504 -1063.9995
2190 21.809231 -6448.8289 0 -6224.2222 -1056.4997
2200 21.834738 -6448.4131 0 -6223.5437 -1055.247
2210 22.053404 -6449.9713 0 -6222.8499 -1059.0126
2220 22.211871 -6450.9665 0 -6222.2131 -1061.1631
2230 22.136256 -6449.519 0 -6221.5444 -1057.005
2240 21.95616 -6446.9579 0 -6220.838 -1049.819
2250 21.923576 -6445.8406 0 -6220.0563 -1046.3662
2260 22.155568 -6447.4761 0 -6219.3026 -1050.0877
2270 22.472144 -6450.0957 0 -6218.6619 -1056.7086
2280 22.625353 -6451.0829 0 -6218.0712 -1059.4587
2290 22.542977 -6449.6972 0 -6217.5338 -1055.8674
2300 22.353808 -6447.0998 0 -6216.8847 -1048.8464
2310 22.199672 -6444.8501 0 -6216.2224 -1042.6858
2320 22.168149 -6443.8627 0 -6215.5596 -1040.2713
2330 22.326947 -6444.8459 0 -6214.9074 -1043.2191
2340 22.619445 -6447.2547 0 -6214.3038 -1049.6256
2350 22.841953 -6448.9708 0 -6213.7284 -1054.0085
2360 22.832357 -6448.29 0 -6213.1464 -1052.3278
2370 22.676181 -6446.0942 0 -6212.559 -1046.8884
2380 22.573679 -6444.4435 0 -6211.964 -1042.7352
2390 22.582663 -6443.8955 0 -6211.3234 -1041.3299
2400 22.653145 -6443.9587 0 -6210.6608 -1041.3709
2410 22.763485 -6444.4279 0 -6209.9936 -1042.0924
2420 22.873423 -6444.9515 0 -6209.385 -1042.6384
2430 22.906275 -6444.7449 0 -6208.8401 -1041.5096
2440 22.910306 -6444.2555 0 -6208.3092 -1039.9263
2450 23.026189 -6444.906 0 -6207.7662 -1040.9903
2460 23.150543 -6445.6549 0 -6207.2345 -1042.0974
2470 23.03306 -6443.8888 0 -6206.6783 -1037.2926
2480 22.842772 -6441.2953 0 -6206.0445 -1030.4331
2490 22.911334 -6441.3197 0 -6205.3627 -1029.7119
2500 23.153003 -6443.2121 0 -6204.7663 -1033.9009
2510 23.302474 -6444.2371 0 -6204.252 -1036.5887
2520 23.252259 -6443.2208 0 -6203.7528 -1034.4441
2530 23.053919 -6440.6493 0 -6203.2239 -1028.2518
2540 22.849407 -6437.9368 0 -6202.6177 -1021.2949
2550 22.71295 -6435.8556 0 -6201.9418 -1015.6613
2560 22.715354 -6435.146 0 -6201.2074 -1013.3958
2570 22.864096 -6435.9504 0 -6200.48 -1015.1761
2580 23.14749 -6438.1503 0 -6199.7612 -1020.6574
2590 23.497133 -6441.031 0 -6199.0411 -1027.6059
2600 23.697975 -6442.4482 0 -6198.3899 -1030.8199
2610 23.740349 -6442.2782 0 -6197.7835 -1030.0732
2620 23.75572 -6441.8591 0 -6197.206 -1028.6315
2630 23.699131 -6440.7117 0 -6196.6415 -1025.8508
2640 23.5571 -6438.6417 0 -6196.0342 -1021.2352
2650 23.389543 -6436.2703 0 -6195.3884 -1015.7993
2660 23.267974 -6434.3342 0 -6194.7043 -1011.0616
2670 23.287404 -6433.8493 0 -6194.0194 -1009.2211
2680 23.400854 -6434.3704 0 -6193.372 -1009.3078
2690 23.416634 -6433.8866 0 -6192.7257 -1007.2707
2700 23.427232 -6433.3541 0 -6192.0841 -1005.4693
2710 23.635545 -6434.8406 0 -6191.4252 -1008.7624
2720 24.010565 -6438.1027 0 -6190.8251 -1016.3862
2730 24.23397 -6439.8767 0 -6190.2984 -1020.4547
2740 24.078692 -6437.7148 0 -6189.7356 -1015.0876
2750 23.670633 -6432.8931 0 -6189.1164 -1003.3684
2760 23.373655 -6429.1855 0 -6188.4673 -994.51945
2770 23.482791 -6429.5982 0 -6187.756 -995.83147
2780 23.872126 -6432.9614 0 -6187.1096 -1004.3236
2790 24.162 -6435.438 0 -6186.6008 -1010.2907
2800 24.108594 -6434.4173 0 -6186.1301 -1007.1844
2810 23.814401 -6430.8633 0 -6185.606 -997.59405
2820 23.671042 -6428.7616 0 -6184.9807 -991.50142
2830 23.904253 -6430.4417 0 -6184.259 -994.88526
2840 24.222253 -6433.0419 0 -6183.5843 -1001.3792
2850 24.366623 -6433.9188 0 -6182.9743 -1004.2837
2860 24.357528 -6433.2663 0 -6182.4155 -1003.1189
2870 24.267904 -6431.8546 0 -6181.9268 -999.3335
2880 24.1373 -6429.9704 0 -6181.3876 -994.19805
2890 24.088236 -6428.8913 0 -6180.8138 -991.20406
2900 24.237479 -6429.859 0 -6180.2445 -993.58209
2910 24.537221 -6432.4491 0 -6179.7477 -1000.1557
2920 24.725978 -6433.9593 0 -6179.3139 -1004.2865
2930 24.666397 -6432.9221 0 -6178.8903 -1002.0287
2940 24.431333 -6430.0101 0 -6178.3992 -994.8963
2950 24.205387 -6427.1163 0 -6177.8323 -987.58777
2960 24.165998 -6426.0758 0 -6177.1974 -984.54957
2970 24.304869 -6426.8576 0 -6176.5491 -985.75023
2980 24.507852 -6428.3077 0 -6175.9087 -988.49496
2990 24.71811 -6429.8823 0 -6175.3179 -991.35348
3000 24.795515 -6430.196 0 -6174.8344 -991.38382
3010 24.684857 -6428.5861 0 -6174.3641 -987.38566
3020 24.566106 -6426.8412 0 -6173.8422 -983.14118
3030 24.5132 -6425.7553 0 -6173.3012 -980.29245
3040 24.445354 -6424.4783 0 -6172.7229 -977.31599
3050 24.449132 -6423.8964 0 -6172.1021 -976.31361
3060 24.574974 -6424.5399 0 -6171.4496 -978.26691
3070 24.694342 -6425.1325 0 -6170.8129 -979.70901
3080 24.649447 -6424.071 0 -6170.2138 -976.60226
3090 24.476494 -6421.6191 0 -6169.5431 -970.00913
3100 24.513281 -6421.3556 0 -6168.9007 -968.37295
3110 24.821876 -6423.9501 0 -6168.3171 -973.82404
3120 25.101656 -6426.3352 0 -6167.8208 -979.74497
3130 25.270758 -6427.6016 0 -6167.3457 -983.50283
3140 25.403423 -6428.5364 0 -6166.9142 -985.98587
3150 25.397638 -6428.0315 0 -6166.4689 -984.51906
3160 25.128712 -6424.8064 0 -6166.0133 -976.55331
3170 24.797216 -6420.8279 0 -6165.4489 -967.18014
3180 24.861755 -6420.8636 0 -6164.8199 -966.99651
3190 25.218012 -6423.92 0 -6164.2073 -973.58189
3200 25.337601 -6424.6054 0 -6163.6611 -974.78523
3210 25.107309 -6421.6886 0 -6163.1159 -967.83802
3220 24.898576 -6418.9494 0 -6162.5265 -961.26736
3230 24.956173 -6418.9898 0 -6161.9737 -960.87585
3240 25.076431 -6419.7207 0 -6161.4661 -962.14002
3250 25.08389 -6419.2993 0 -6160.9679 -960.88619
3260 25.079853 -6418.7103 0 -6160.4205 -959.28426
3270 25.215389 -6419.4987 0 -6159.813 -961.04963
3280 25.54459 -6422.342 0 -6159.2659 -967.73074
3290 25.87554 -6425.2881 0 -6158.8037 -974.74344
3300 25.903164 -6425.1578 0 -6158.3889 -974.55815
3310 25.680487 -6422.4196 0 -6157.944 -967.79715
3320 25.436459 -6419.4634 0 -6157.501 -959.93171
3330 25.271552 -6417.219 0 -6156.955 -953.99906
3340 25.346444 -6417.3919 0 -6156.3565 -954.0175
3350 25.587077 -6419.3 0 -6155.7864 -958.22206
3360 25.695996 -6419.8737 0 -6155.2383 -959.6718
3370 25.720883 -6419.6273 0 -6154.7357 -959.2484
3380 25.879074 -6420.7997 0 -6154.2789 -961.83955
3390 26.036918 -6421.9789 0 -6153.8325 -964.45572
3400 25.948629 -6420.6132 0 -6153.3761 -961.19626
3410 25.603577 -6416.4955 0 -6152.812 -951.49936
3420 25.277837 -6412.527 0 -6152.1982 -941.89472
3430 25.230926 -6411.4805 0 -6151.6348 -938.85197
3440 25.407463 -6412.7782 0 -6151.1144 -941.42569
3450 25.617358 -6414.4021 0 -6150.5766 -944.96905
3460 25.786076 -6415.5599 0 -6149.9968 -947.32234
3470 25.922851 -6416.4053 0 -6149.4336 -949.06813
3480 26.119347 -6417.8636 0 -6148.8683 -952.68886
3490 26.218974 -6418.4654 0 -6148.4441 -954.69743
3500 26.049233 -6416.2679 0 -6147.9947 -950.18839
3510 25.693394 -6412.0535 0 -6147.445 -940.43261
3520 25.499588 -6409.4156 0 -6146.803 -933.41544
3530 25.586974 -6409.6226 0 -6146.11 -932.74156
3540 25.860392 -6411.7931 0 -6145.4647 -937.15348
3550 26.188484 -6414.6069 0 -6144.8996 -943.87737
3560 26.461464 -6416.9396 0 -6144.421 -949.90349
3570 26.589315 -6417.8021 0 -6143.9668 -952.4457
3580 26.56993 -6417.1574 0 -6143.5217 -950.92142
3590 26.455909 -6415.5203 0 -6143.0589 -946.16358
3600 26.152282 -6411.8875 0 -6142.5531 -936.37401
3610 25.775567 -6407.352 0 -6141.8973 -924.87198
3620 25.668894 -6405.556 0 -6141.1997 -920.34854
3630 25.978149 -6408.0811 0 -6140.5399 -926.56734
3640 26.564553 -6413.4864 0 -6139.9061 -939.48639
3650 26.909124 -6416.5404 0 -6139.4115 -946.37805
3660 26.724717 -6414.1574 0 -6138.9276 -940.42555
3670 26.422189 -6410.5082 0 -6138.394 -931.50617
3680 26.398635 -6409.7042 0 -6137.8326 -929.4103
3690 26.570748 -6410.9307 0 -6137.2866 -932.34441
3700 26.651417 -6411.2063 0 -6136.7314 -933.36511
3710 26.589807 -6410.0585 0 -6136.2181 -931.02997
3720 26.533858 -6408.9543 0 -6135.6901 -928.38574
3730 26.50668 -6408.1736 0 -6135.1892 -925.86436
3740 26.46159 -6407.1775 0 -6134.6575 -922.39462
3750 26.396595 -6405.9681 0 -6134.1175 -918.45094
3760 26.440196 -6405.8064 0 -6133.5068 -917.56053
3770 26.743112 -6408.2451 0 -6132.8259 -923.15375
3780 27.038748 -6410.6332 0 -6132.1693 -928.92314
3790 27.002397 -6409.6317 0 -6131.5421 -927.11925
3800 26.812667 -6407.1061 0 -6130.9705 -921.57646
3810 26.751391 -6405.9331 0 -6130.4286 -918.81768
3820 26.79566 -6405.8688 0 -6129.9083 -918.41904
3830 26.818814 -6405.6095 0 -6129.4106 -917.33046
3840 26.779516 -6404.6176 0 -6128.8234 -914.63692
3850 26.811121 -6404.3106 0 -6128.1909 -913.56294
3860 26.8958 -6404.519 0 -6127.5273 -913.78855
3870 26.921326 -6404.1181 0 -6126.8635 -912.87443
3880 27.099964 -6405.3939 0 -6126.2995 -915.28328
3890 27.27787 -6406.7453 0 -6125.8188 -917.59696
3900 27.219648 -6405.6017 0 -6125.2748 -914.50763
3910 27.105833 -6403.8204 0 -6124.6656 -910.07587
3920 27.116709 -6403.2885 0 -6124.0216 -908.42333
3930 27.081527 -6402.2517 0 -6123.3472 -905.89446
3940 26.932756 -6400.0687 0 -6122.6964 -901.1286
3950 26.930705 -6399.4167 0 -6122.0655 -899.88995
3960 27.236836 -6401.9835 0 -6121.4795 -905.52465
3970 27.502217 -6404.206 0 -6120.969 -910.18191
3980 27.430879 -6402.9045 0 -6120.4021 -907.21813
3990 27.280358 -6400.7263 0 -6119.7741 -902.29762
4000 27.27069 -6399.9508 0 -6119.0981 -900.12014
Loop time of 344.483 on 1 procs for 4000 steps with 3456 atoms
Pair time (%) = 115.899 (33.6442)
Neigh time (%) = 49.9152 (14.4899)
Comm time (%) = 1.06949 (0.310462)
Outpt time (%) = 0.0676758 (0.0196456)
Other time (%) = 177.532 (51.5358)
Nlocal: 3456 ave 3456 max 3456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 12768 ave 12768 max 12768 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1.0891e+06 ave 1.0891e+06 max 1.0891e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 2.1782e+06 ave 2.1782e+06 max 2.1782e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 2178196
Ave neighs/atom = 630.265
Neighbor list builds = 400
Dangerous builds = 0
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