307 lines
17 KiB
Groff
307 lines
17 KiB
Groff
LAMMPS (12 Feb 2007)
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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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1 by 2 by 2 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 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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#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 <> 36 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 clump5 # clump6 clump7 clump8 clump9
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# 2 chains 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 <> 37 45
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9 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
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1 clusters, 4 bodies, 3 joints, 36 atoms
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fix 2 all poems group clump5 clump6 clump7 clump8 clump9
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1 clusters, 5 bodies, 4 joints, 45 atoms
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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 = 1.83868 Mbytes
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Step Temp E_pair E_mol TotEng Press
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0 196.00047 3632.2347 0 3668.5311 -49.218825
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50 12167.633 1505.5478 0 3758.8133 33.574274
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100 17556.978 512.66277 0 3763.9549 7.6047451
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150 19579.586 138.04942 0 3763.8987 -16.463506
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200 19757.51 105.30542 0 3764.1036 7.5942941
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250 18218.374 390.10747 0 3763.8804 19.672945
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300 19383.039 174.40688 0 3763.8586 10.032093
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350 20125.986 36.972611 0 3764.0071 6.0125969
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400 18888.816 266.10975 0 3764.0386 8.3046039
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450 19307.656 188.2511 0 3763.743 7.8887976
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500 16331.197 738.56392 0 3762.8597 13.456852
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550 19318.722 186.16172 0 3763.7027 8.2282227
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600 19455.268 161.20621 0 3764.0336 7.7732896
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650 18487.011 340.03216 0 3763.5528 3.9255991
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700 17321.201 556.32471 0 3763.9545 -6.4011523
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750 18979.187 249.04389 0 3763.7082 2.1939314
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800 19342.456 181.85552 0 3763.7918 12.876517
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850 19070.641 232.19342 0 3763.7936 8.2159078
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900 19478.873 156.65987 0 3763.8586 7.4568244
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950 19912.415 76.437437 0 3763.9216 5.8486682
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1000 16003.749 802.39753 0 3766.0548 55.191187
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1050 19859.583 86.64176 0 3764.3424 8.7977394
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1100 19229.575 203.61488 0 3764.6473 -4.0979799
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1150 18821.6 279.15861 0 3764.64 1.5304912
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1200 19392.695 173.59744 0 3764.8373 10.841959
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1250 16459.624 717.32104 0 3765.3995 40.93
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1300 19343.863 182.59043 0 3764.7874 9.4801222
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1350 20019.643 57.503573 0 3764.8448 8.041765
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1400 18549.582 329.31436 0 3764.4221 13.151345
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1450 15163.926 957.47583 0 3765.6103 -7.3048398
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1500 19223.688 204.15164 0 3764.0939 6.5539049
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1550 18147.996 404.12675 0 3764.8668 13.092195
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1600 18615.043 317.42462 0 3764.6548 5.9101585
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1650 20120.654 38.887963 0 3764.935 0.38926372
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1700 19450.904 162.98318 0 3765.0025 7.9275461
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1750 19374.634 177.37922 0 3765.2744 8.7907106
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1800 19424.403 167.93984 0 3765.0514 5.6664259
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1850 17936.476 442.80024 0 3764.3699 14.101091
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1900 19982.598 64.405734 0 3764.8868 3.8454902
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1950 16216.207 761.84618 0 3764.8475 19.873084
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2000 18584.309 322.14125 0 3763.6799 12.138411
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2050 20107.968 41.025323 0 3764.723 5.3931463
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2100 20002.381 60.584283 0 3764.7288 0.25773654
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2150 16949.202 626.70007 0 3765.4412 12.954412
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2200 20010.949 58.809053 0 3764.5403 -1.2239084
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2250 18982.71 247.01257 0 3762.3292 8.977934
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2300 18401.513 354.84007 0 3762.5277 7.0021344
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2350 19390.418 172.96117 0 3763.7793 1.8207539
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2400 16084.09 785.7786 0 3764.3137 -12.437816
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2450 18871.606 268.52952 0 3763.2713 14.613895
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2500 19686.081 117.99211 0 3763.5626 8.3329722
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2550 18875.819 267.86112 0 3763.3831 -0.48856518
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2600 17010.705 613.30983 0 3763.4405 11.630319
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2650 18797.741 282.8114 0 3763.8745 8.1020989
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2700 19726.505 110.11368 0 3763.1701 6.5575356
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2750 19436.803 164.0424 0 3763.4504 6.8766681
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2800 18357.485 362.53565 0 3762.0699 29.446982
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2850 19004.145 243.73317 0 3763.0192 8.1423479
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2900 20108.185 39.496053 0 3763.234 4.5848354
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2950 15919.562 814.90854 0 3762.9756 23.062229
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3000 17654.881 493.61172 0 3763.0342 5.545646
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3050 18711.769 298.14871 0 3763.2911 7.243461
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3100 16038.72 793.07314 0 3763.2064 14.346203
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3150 19925.087 73.363563 0 3763.1945 6.1598038
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3200 19305.94 187.89701 0 3763.0711 13.363938
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3250 19779.251 100.11507 0 3762.9394 -4.2931123
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3300 17922.539 444.12789 0 3763.1166 11.814226
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3350 18967.646 250.37413 0 3762.9011 10.599374
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3400 16940.148 625.60864 0 3762.673 27.487664
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3450 19284.152 191.53891 0 3762.6781 7.1971328
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3500 19321.512 184.58448 0 3762.6423 7.1507645
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3550 19631.049 126.97845 0 3762.358 6.6703895
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3600 18494.976 337.74154 0 3762.7371 5.2298746
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3650 19117.634 222.45812 0 3762.7607 5.5119957
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3700 19400.367 170.05551 0 3762.716 5.1505902
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3750 19912.752 75.322358 0 3762.869 4.9003403
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3800 18564.109 325.06781 0 3762.8658 14.09429
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3850 19846.304 87.655562 0 3762.8971 9.0642301
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3900 19476.444 156.1165 0 3762.8653 -2.9763615
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3950 19647.738 124.43854 0 3762.9085 6.1008067
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4000 18123.616 406.3511 0 3762.5762 12.300492
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4050 16574.617 693.99841 0 3763.372 8.1837692
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4100 18946.287 254.50552 0 3763.0773 10.419471
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4150 18466.555 343.35133 0 3763.0837 1.7173061
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4200 19477.739 156.04727 0 3763.0359 9.9334234
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4250 19680.9 118.38024 0 3762.9913 6.7698432
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4300 18320.329 369.90558 0 3762.5591 2.8725905
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4350 18767.214 286.789 0 3762.199 10.607372
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4400 16894.629 634.49312 0 3763.1281 11.825821
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4450 17915.848 444.62515 0 3762.3748 5.59808
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4500 19487.927 154.02671 0 3762.9021 4.5536547
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4550 19880.496 81.301302 0 3762.8746 9.5930235
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4600 19872.228 82.669863 0 3762.7122 6.7573135
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4650 15769.89 843.11924 0 3763.4693 15.845442
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4700 19720.045 110.85283 0 3762.7129 6.1293004
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4750 19764.607 102.5192 0 3762.6317 8.94455
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4800 17562.467 510.78691 0 3763.0956 13.972896
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4850 19463.538 158.32481 0 3762.6836 1.0093239
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4900 17932.952 441.75053 0 3762.6675 12.701684
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4950 19084.979 228.62301 0 3762.8785 11.759924
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5000 19472.38 156.9411 0 3762.9375 11.220659
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5050 19453.908 160.3778 0 3762.9533 12.301143
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5100 19521.287 147.96055 0 3763.0137 12.392696
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5150 18128.471 405.81521 0 3762.9394 11.945434
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5200 17049.524 605.73212 0 3763.0514 -0.12699639
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5250 19645.014 125.0255 0 3762.991 -0.52279382
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5300 18281.054 377.45844 0 3762.8388 20.11439
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5350 19457.083 159.77948 0 3762.9429 6.3853596
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5400 18431.165 349.7041 0 3762.8827 4.871088
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5450 19431.127 164.51144 0 3762.8682 -3.2111996
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5500 19538.523 144.42775 0 3762.6727 4.5926045
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5550 16105.678 780.35525 0 3762.8882 54.598614
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5600 20038.616 51.570638 0 3762.4254 4.5474063
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5650 19774.413 100.34213 0 3762.2704 0.78153427
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5700 19210.59 204.66324 0 3762.18 5.4298437
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5750 19146.331 216.47595 0 3762.0928 7.0574791
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5800 19058.521 232.88706 0 3762.2428 5.1938614
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5850 19195.04 207.81355 0 3762.4506 -3.7719233
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5900 18304.113 372.73776 0 3762.3882 -0.65463254
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5950 19936.776 70.443763 0 3762.4393 9.3331421
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6000 19413.016 167.50961 0 3762.5125 9.6998807
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6050 19169.847 212.36264 0 3762.3343 13.97952
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6100 19873.513 82.452317 0 3762.7325 7.797884
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6150 18911.794 260.42784 0 3762.6119 3.8761488
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6200 19153.7 215.69884 0 3762.6802 2.9164092
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6250 18802.916 280.37164 0 3762.3932 9.5188585
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6300 19385.046 172.8566 0 3762.6799 9.6703687
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6350 20042.403 51.159768 0 3762.7159 7.6850802
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6400 17671.74 490.05042 0 3762.5948 14.096008
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6450 18092.22 412.77197 0 3763.1832 0.82294201
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6500 19953.711 67.838094 0 3762.9698 8.1400023
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6550 19818.338 92.883562 0 3762.9461 8.055057
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6600 19323.833 183.93088 0 3762.4184 5.2727635
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6650 18642.816 310.35894 0 3762.7323 19.352453
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6700 16246.778 753.95834 0 3762.6209 24.682771
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6750 19362.672 176.94037 0 3762.6204 4.5345155
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6800 18813.849 278.64468 0 3762.6908 9.7383715
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6850 19386.278 172.79274 0 3762.8443 -2.8239186
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6900 19206.609 206.02588 0 3762.8054 8.1264361
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6950 18068.847 416.85422 0 3762.9369 2.3525156
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7000 18369.805 360.43314 0 3762.249 13.728295
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7050 18426.189 350.61688 0 3762.8741 14.517035
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7100 17656.982 492.79834 0 3762.6098 11.126444
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7150 18141.722 402.98387 0 3762.562 14.510638
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7200 18621.905 313.92925 0 3762.4301 1.4234708
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7250 18374.083 360.03493 0 3762.6429 -3.8128826
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7300 18040.277 421.82567 0 3762.6177 2.7635663
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7350 19146.198 217.01003 0 3762.6023 11.264741
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7400 18826.989 276.1892 0 3762.6686 12.390664
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7450 16067.243 787.1796 0 3762.5949 14.180712
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7500 18419.546 351.11771 0 3762.1448 12.922148
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7550 18446.346 346.8971 0 3762.8871 15.016254
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7600 18944.672 254.13521 0 3762.4077 10.235074
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7650 18736.984 292.8881 0 3762.7 -8.4530721
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7700 18741.654 291.39068 0 3762.0673 3.2144304
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7750 18220.361 388.04072 0 3762.1816 15.132777
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7800 19348.223 178.96147 0 3761.9658 4.4894323
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7850 19401.949 169.04328 0 3761.9968 4.9313127
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7900 18577.957 321.63399 0 3761.9965 10.7403
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7950 17739.892 476.69976 0 3761.865 15.786414
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8000 17512.557 519.37266 0 3762.4387 8.4816398
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8050 19168.123 212.38445 0 3762.0369 1.9313036
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8100 17916.044 443.46573 0 3761.2517 1.5416538
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8150 18601.23 316.95165 0 3761.6238 10.656943
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8200 17791.805 467.15931 0 3761.9381 2.2002016
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8250 18321.607 369.09405 0 3761.9843 5.815164
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8300 17334.957 552.06316 0 3762.2404 9.7175531
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8350 17207.467 575.31923 0 3761.8872 5.6916957
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8400 18225.217 387.22593 0 3762.2662 13.185636
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8450 19004.047 243.03694 0 3762.3048 13.419491
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8500 18952.876 252.61597 0 3762.4078 2.0529233
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8550 19127.437 220.08856 0 3762.2066 -3.9009433
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8600 19542.154 143.35104 0 3762.2684 9.2825505
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8650 19294.525 189.17898 0 3762.2392 15.659987
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8700 18832.532 274.05387 0 3761.5598 6.8307945
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8750 18591.931 318.93488 0 3761.885 13.12084
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8800 18576.38 322.04174 0 3762.1121 1.3006059
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8850 19922.086 72.972833 0 3762.248 7.446691
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8900 18892.839 263.55803 0 3762.2319 12.740409
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8950 16486.736 708.70288 0 3761.8022 33.657286
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9000 18628.335 312.81773 0 3762.5094 11.180187
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9050 19286.823 190.4938 0 3762.1278 3.690949
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9100 18973.378 247.96414 0 3761.5526 12.70188
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9150 17256.927 566.17648 0 3761.9038 13.94458
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9200 18507.288 334.66416 0 3761.9398 8.7036327
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9250 18961.534 250.42427 0 3761.8194 2.441337
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9300 19206.115 205.203 0 3761.8911 7.4983103
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9350 19401.191 168.92055 0 3761.7336 4.4522417
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9400 18069.392 415.54646 0 3761.7301 9.7253906
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9450 18828.428 274.89551 0 3761.6415 12.99464
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9500 18295.323 373.66825 0 3761.691 4.0189559
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9550 17709.338 482.22946 0 3761.7365 -0.16619916
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9600 19512.39 148.31281 0 3761.7184 6.188777
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9650 19742.351 105.74048 0 3761.7315 8.5310602
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9700 19892.658 77.898869 0 3761.7245 9.4480252
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9750 19035.044 236.65131 0 3761.6595 8.943227
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9800 17443.415 531.71826 0 3761.9802 20.612812
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9850 19545.912 141.99994 0 3761.6133 5.9979112
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9900 19542.173 142.22929 0 3761.1503 7.6623836
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9950 19794.356 96.034607 0 3761.6561 2.4218049
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10000 19058.563 232.34496 0 3761.7085 -1.2298428
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Loop time of 17.5626 on 4 procs for 10000 steps with 81 atoms
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Pair time (%) = 0.0920856 (0.524327)
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Neigh time (%) = 0.0420477 (0.239415)
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Comm time (%) = 1.61713 (9.20777)
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Outpt time (%) = 0.101673 (0.578917)
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Other time (%) = 15.7097 (89.4496)
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Nlocal: 20.25 ave 42 max 0 min
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Histogram: 2 0 0 0 0 0 0 0 1 1
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Nghost: 20.5 ave 37 max 9 min
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Histogram: 2 0 0 0 0 0 1 0 0 1
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Neighs: 164.25 ave 401 max 0 min
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Histogram: 2 0 0 0 0 0 1 0 0 1
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Total # of neighbors = 657
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Ave neighs/atom = 8.11111
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Neighbor list builds = 991
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Dangerous builds = 930
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