forked from lijiext/lammps
307 lines
17 KiB
Groff
307 lines
17 KiB
Groff
LAMMPS (15 Jan 2010)
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# Simple rigid body system
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units lj
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atom_style atomic
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pair_style lj/cut 2.5
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read_data data.rigid
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orthogonal box = (-12 -12 -12) to (12 12 12)
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1 by 1 by 1 processor grid
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81 atoms
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velocity all create 100.0 4928459
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# unconnected bodies
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#group clump1 id <> 1 9
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#group clump2 id <> 10 18
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#group clump3 id <> 19 27
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#group clump4 id <> 28 36
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#group clump5 id <> 37 45
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#group clump6 id <> 46 54
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#group clump7 id <> 55 63
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#group clump8 id <> 64 72
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#group clump9 id <> 73 81
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#fix 1 all rigid group 9 clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
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# 1 chain of connected bodies
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group clump1 id <> 1 9
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9 atoms in group clump1
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group clump2 id <> 9 18
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10 atoms in group clump2
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group clump3 id <> 18 27
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10 atoms in group clump3
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group clump4 id <> 27 36
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10 atoms in group clump4
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group clump5 id <> 36 45
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10 atoms in group clump5
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group clump6 id <> 45 54
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10 atoms in group clump6
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group clump7 id <> 54 63
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10 atoms in group clump7
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group clump8 id <> 63 72
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10 atoms in group clump8
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group clump9 id <> 72 81
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10 atoms in group clump9
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fix 1 all poems group clump1 clump2 clump3 clump4 clump5 clump6 clump7 clump8 clump9
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1 clusters, 9 bodies, 8 joints, 81 atoms
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# 2 chains of connected bodies
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#group clump1 id <> 1 9
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#group clump2 id <> 9 18
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#group clump3 id <> 18 27
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#group clump4 id <> 27 36
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#group clump5 id <> 37 45
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#group clump6 id <> 45 54
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#group clump7 id <> 54 63
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#group clump8 id <> 63 72
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#group clump9 id <> 72 81
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#fix 1 all poems group clump1 clump2 clump3 clump4
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#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
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neigh_modify exclude group clump1 clump1
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neigh_modify exclude group clump2 clump2
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neigh_modify exclude group clump3 clump3
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neigh_modify exclude group clump4 clump4
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neigh_modify exclude group clump5 clump5
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neigh_modify exclude group clump6 clump6
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neigh_modify exclude group clump7 clump7
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neigh_modify exclude group clump8 clump8
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neigh_modify exclude group clump9 clump9
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thermo 100
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dump 1 all atom 50 dump.rigid
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timestep 0.0001
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thermo 50
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run 10000
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Memory usage per processor = 1.70328 Mbytes
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Step Temp E_pair E_mol TotEng Press
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0 217.7783 3430.3907 0 3466.6871 -2.7403788
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50 13679.637 1404.2468 0 3684.1863 12.446066
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100 16777.225 888.87665 0 3685.0808 -31.828677
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150 19595.365 418.45042 0 3684.3446 40.709078
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200 18524.188 596.47273 0 3683.8375 -0.8159371
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250 21015.789 180.96521 0 3683.5967 -10.042469
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300 20785.513 219.25314 0 3683.5053 2.6452719
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350 21072.46 171.2554 0 3683.3321 7.0609024
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400 19956.414 356.36381 0 3682.4328 19.320259
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450 20724.42 227.73284 0 3681.8028 8.1259249
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500 20152.578 322.71466 0 3681.4777 5.4929878
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550 20017.022 345.29701 0 3681.4673 5.4661666
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600 17897.743 698.72196 0 3681.6791 3.2854742
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650 17297.758 796.60256 0 3679.5623 15.191113
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700 18581.934 584.29715 0 3681.2861 5.1588289
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750 21774.158 52.821062 0 3681.8474 -10.775664
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800 21604.055 81.188546 0 3681.8644 -3.2045742
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850 17821.483 711.53827 0 3681.7854 7.4384279
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900 21033.292 175.98127 0 3681.5299 -16.345167
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950 20968.166 186.59847 0 3681.2929 -2.330456
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1000 20490.66 266.19375 0 3681.3037 11.787982
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1050 20222.396 310.94072 0 3681.34 -8.3459539
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1100 21321.687 127.61533 0 3681.2299 -1.2184716
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1150 20849.582 206.01696 0 3680.9472 -0.86699128
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1200 21815.003 45.317411 0 3681.1512 1.5988314
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1250 18655.437 572.41453 0 3681.654 10.06408
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1300 20780.781 217.3651 0 3680.8286 6.0538613
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1350 20558.971 254.36486 0 3680.8601 -3.6773909
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1400 21485.029 99.812878 0 3680.6511 -16.185476
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1450 21771.107 52.15963 0 3680.6775 -2.4756665
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1500 21520.949 93.503894 0 3680.3286 2.1023576
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1550 21351.418 121.68135 0 3680.2511 5.515991
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1600 20778.805 216.92184 0 3680.0559 15.089195
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1650 21477.637 100.21861 0 3679.8247 -1.1045435
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1700 18501.333 596.48019 0 3680.0357 -15.679753
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1750 18563.639 587.34833 0 3681.2882 33.532275
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1800 19110.179 494.82437 0 3679.8543 18.024066
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1850 21364.184 119.23664 0 3679.9339 2.5290486
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1900 20146.607 322.15196 0 3679.9197 5.7315448
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1950 20692.671 231.25334 0 3680.0319 4.297781
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2000 20943.905 189.11203 0 3679.7629 -22.644315
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2050 19667.921 401.85257 0 3679.8394 3.6245116
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2100 20280.245 299.79467 0 3679.8355 7.4805416
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2150 19181.426 483.59356 0 3680.498 22.628517
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2200 21300.763 130.60419 0 3680.7314 4.7084861
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2250 20485.71 266.8445 0 3681.1294 -8.6528765
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2300 18650.247 572.72596 0 3681.1005 -5.2588622
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2350 21514.872 95.389358 0 3681.2014 -9.3766026
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2400 21464.017 103.93919 0 3681.2753 -29.502923
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2450 20104.665 331.50772 0 3682.2852 35.530505
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2500 20768.699 220.94747 0 3682.3974 -12.382718
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2550 20474.476 269.8309 0 3682.2435 -22.601282
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2600 21462.922 105.12338 0 3682.2771 -10.137895
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2650 20938.842 192.54497 0 3682.3519 4.976155
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2700 18604.089 582.03799 0 3682.7195 21.990828
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2750 21184.248 151.46203 0 3682.17 -8.6423554
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2800 21525.385 94.582968 0 3682.1471 -6.4679832
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2850 18614.698 579.55541 0 3682.005 16.879889
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2900 20766.017 220.9412 0 3681.944 6.0675076
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2950 20866.735 204.22266 0 3682.0118 5.5391341
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3000 17825.523 711.72832 0 3682.6489 45.323056
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3050 19727.886 394.01838 0 3681.9994 4.5396273
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3100 20185.832 317.79283 0 3682.0982 10.108668
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3150 21019.791 178.6322 0 3681.9308 10.003636
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3200 21229.953 143.56002 0 3681.8855 -0.97434809
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3250 20473.122 268.51787 0 3680.7049 12.55376
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3300 18333.322 626.87453 0 3682.4283 15.355535
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3350 21238.336 142.36604 0 3682.0886 2.0657689
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3400 20490.484 267.03278 0 3682.1135 8.3788197
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3450 21803.945 47.977663 0 3681.9685 -6.1929877
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3500 21384.982 117.59875 0 3681.7624 -7.2450054
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3550 20222.68 311.28304 0 3681.7296 -3.1364401
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3600 20112.252 329.6107 0 3681.6527 -5.0793671
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3650 20898.22 198.595 0 3681.6317 -3.775415
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3700 20858.376 205.14765 0 3681.5437 -9.4089654
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3750 20526.641 260.59348 0 3681.7004 5.4684308
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3800 21837.985 42.007027 0 3681.6712 -1.7663833
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3850 21335.494 125.67642 0 3681.5922 2.6761702
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3900 21247.57 140.25459 0 3681.5162 2.1569887
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3950 21245.295 140.54255 0 3681.4251 -7.2422669
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4000 19821.285 377.16323 0 3680.7107 19.498099
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4050 20562.418 254.40154 0 3681.4711 -0.79137705
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4100 21660.173 71.484017 0 3681.5129 -2.3230116
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4150 20877.277 201.73878 0 3681.285 -1.8378576
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4200 20001.727 347.88922 0 3681.5103 8.3916263
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4250 19702.902 397.65875 0 3681.4757 -1.9350489
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4300 19454.252 439.11247 0 3681.4879 -1.9841374
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4350 20692.117 232.81882 0 3681.505 -14.984472
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4400 20922.502 194.60156 0 3681.6853 -11.095981
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4450 20893.237 199.41826 0 3681.6244 2.1831997
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4500 20993.824 182.65736 0 3681.628 3.7732572
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4550 21455.967 105.74866 0 3681.7431 -7.4932348
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4600 19614.5 412.18443 0 3681.2678 21.302681
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4650 19008.999 510.90971 0 3679.0761 22.632779
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4700 19224.389 477.66417 0 3681.7289 -6.8321263
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4750 21613.384 79.409006 0 3681.6396 -19.859198
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4800 19380.2 451.43705 0 3681.4704 -17.129364
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4850 20993.765 182.59217 0 3681.553 1.4371711
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4900 21655.482 72.513204 0 3681.7602 -2.5527408
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4950 20839.282 208.00786 0 3681.2216 5.9621819
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5000 17226.994 812.16817 0 3683.3338 28.814125
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5050 21717.705 62.311486 0 3681.929 1.6956893
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5100 20602.289 248.36863 0 3682.0835 4.1483126
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5150 21797.82 49.19253 0 3682.1625 -3.4289865
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5200 18298.414 632.25032 0 3681.986 -19.265493
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5250 20248.158 308.20145 0 3682.8944 14.602762
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5300 20972.698 186.36037 0 3681.8101 -8.6993727
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5350 21102.468 164.56032 0 3681.6384 -7.0987424
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5400 20129.504 326.77381 0 3681.6912 2.320202
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5450 20566.266 253.87432 0 3681.5853 1.6926503
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5500 19721.771 393.62796 0 3680.5898 12.133857
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5550 21250.043 139.54862 0 3681.2225 6.9561993
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5600 16967.617 852.54859 0 3680.4848 -25.517774
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5650 19189.88 482.00564 0 3680.3189 -16.034814
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5700 19890.322 365.71578 0 3680.7694 7.6081957
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5750 21837.921 41.379798 0 3681.0334 -8.8104668
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5800 19966.877 352.9918 0 3680.8046 -17.501443
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5850 21340.404 124.32071 0 3681.0548 2.0852534
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5900 19699.785 397.85488 0 3681.1524 -33.252713
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5950 19951.875 355.96621 0 3681.2788 24.287127
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6000 20299.079 297.91614 0 3681.0961 -7.690864
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6050 20455.903 271.54434 0 3680.8615 -7.7191717
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6100 18209.344 646.12398 0 3681.0147 4.2591925
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6150 19003.116 513.93507 0 3681.1211 25.199363
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6200 19092.196 499.31769 0 3681.3504 -7.2453763
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6250 21493.607 99.104496 0 3681.3724 -9.6918574
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6300 21398.382 114.90484 0 3681.3018 -9.5907179
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6350 19536.848 425.1853 0 3681.3266 -0.075583281
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6400 20187.06 316.55732 0 3681.0673 13.616466
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6450 19039.844 508.39462 0 3681.7019 5.4465994
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6500 21496.827 98.619361 0 3681.4239 -3.0009932
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6550 20245.402 306.20084 0 3680.4345 -7.6269585
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6600 19876.072 368.12715 0 3680.8058 -6.6413512
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6650 19099.199 496.90345 0 3680.1033 -10.675835
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6700 18634.236 575.67327 0 3681.3792 -4.23727
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6750 20031.593 342.71234 0 3681.3112 3.3339764
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6800 18030.421 677.12532 0 3682.1954 42.41686
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6850 21231.916 143.11122 0 3681.7639 -1.8329912
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6900 16242.679 974.55951 0 3681.6727 -11.846744
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6950 20597.631 248.50119 0 3681.4397 -2.7964013
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7000 21103.311 164.71254 0 3681.9311 -5.9226764
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7050 21302.72 131.38471 0 3681.838 -4.768566
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7100 20719.885 228.60537 0 3681.9196 -13.882147
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7150 20630.971 243.69039 0 3682.1855 -9.4793803
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7200 21221.373 145.54505 0 3682.4405 3.880351
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7250 21463.605 105.36495 0 3682.6324 2.3885695
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7300 20393.407 283.06008 0 3681.9612 -12.506527
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7350 19276.396 470.18406 0 3682.9167 -15.721872
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7400 19965.259 355.30365 0 3682.8468 -6.5093643
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7450 21758.776 56.39313 0 3682.8558 -2.4087306
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7500 18730.831 560.92042 0 3682.7256 12.265908
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7550 16772.528 888.51267 0 3683.934 29.839598
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7600 21291.135 133.67324 0 3682.1957 0.89792099
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7650 21799.811 49.225918 0 3682.5278 -5.9719636
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7700 19945.016 358.21938 0 3682.3888 8.7440045
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7750 20384.65 284.74003 0 3682.1816 7.7373293
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7800 19582.443 418.37792 0 3682.1185 -4.1644066
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7850 14191.822 1319.5888 0 3684.8925 2.7800485
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7900 18460.49 605.93446 0 3682.6828 7.5234716
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7950 19597.324 416.77504 0 3682.9957 -6.2934294
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8000 21379.527 119.57795 0 3682.8324 2.9945719
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8050 20845.204 208.53073 0 3682.7315 11.803821
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8100 20251.386 307.73452 0 3682.9655 15.843155
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8150 21003.36 182.75246 0 3683.3125 -5.7997823
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8200 21236.175 143.88659 0 3683.249 -14.554141
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8250 21127.077 161.6893 0 3682.8688 -4.5927234
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8300 20219.131 313.51628 0 3683.3715 14.242385
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8350 20283.932 303.55207 0 3684.2074 -1.0993016
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8400 14379.962 1293.7805 0 3690.4408 76.614411
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8450 20300.189 301.17351 0 3684.5384 -2.4690083
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8500 20579.084 254.12289 0 3683.9702 -20.149749
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8550 21099.34 167.40895 0 3683.9655 -8.7010972
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8600 20662.241 240.11903 0 3683.8258 -7.5491117
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8650 17850.556 707.68966 0 3682.7823 5.191887
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8700 21527.425 96.360941 0 3684.265 -4.4795025
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8750 19108.88 499.55585 0 3684.3691 -25.029331
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8800 20508.711 266.32471 0 3684.4432 -11.768125
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8850 20772.896 222.58739 0 3684.7368 2.9908751
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8900 20160.349 324.86092 0 3684.9191 1.3920937
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8950 20625.281 247.14594 0 3684.6928 -10.340683
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9000 19648.597 409.8598 0 3684.626 -6.9026217
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9050 21138.794 161.58999 0 3684.7223 0.69075401
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9100 19446.257 442.788 0 3683.8308 10.463021
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9150 19856.946 374.97075 0 3684.4617 3.4489797
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9200 21609.99 82.834331 0 3684.4994 -3.1512038
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9250 21557.779 91.498069 0 3684.4612 -5.6782444
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9300 19582.322 420.85016 0 3684.5705 4.8140283
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9350 19640.93 410.65326 0 3684.1416 -8.6377626
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9400 21499.59 101.02245 0 3684.2874 2.610297
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9450 18667.988 572.86378 0 3684.1951 12.532751
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9500 16798.714 883.82086 0 3683.6065 6.9797935
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9550 21089.694 168.9538 0 3683.9028 -1.7183692
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9600 18288.694 635.7684 0 3683.8841 29.450626
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9650 20150.345 325.44073 0 3683.8316 -1.8201405
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9700 21855.775 41.738359 0 3684.3675 -11.533088
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9750 21588.199 86.347678 0 3684.3808 1.2334285
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9800 20899.439 200.13257 0 3683.3724 2.7674597
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9850 20833.4 212.12955 0 3684.3628 -17.341767
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9900 18911.197 532.51433 0 3684.3806 4.5867368
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9950 17823.874 713.96562 0 3684.6112 17.586616
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10000 18547.184 593.7475 0 3684.9448 18.289264
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Loop time of 7.188 on 1 procs for 10000 steps with 81 atoms
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Pair time (%) = 0.270555 (3.76398)
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Neigh time (%) = 0.127232 (1.77006)
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Comm time (%) = 0.0177963 (0.247583)
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Outpt time (%) = 0.0308633 (0.429372)
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Other time (%) = 6.74156 (93.789)
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Nlocal: 81 ave 81 max 81 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 78 ave 78 max 78 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 1117 ave 1117 max 1117 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 1117
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Ave neighs/atom = 13.7901
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Neighbor list builds = 991
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Dangerous builds = 927
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