forked from lijiext/lammps
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 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 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 = 1.85083 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 15163.926 957.47582 0 3765.6103 -7.3048396
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1500 19223.689 204.15156 0 3764.0939 6.5539037
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1550 18147.996 404.12674 0 3764.8668 13.092194
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1600 18615.043 317.42458 0 3764.6548 5.910153
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1650 20120.654 38.887996 0 3764.935 0.38927147
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1700 19450.903 162.98348 0 3765.0025 7.9275404
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1750 19374.636 177.37893 0 3765.2744 8.7907115
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1800 19424.402 167.93995 0 3765.0514 5.6664351
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1850 17936.625 442.77274 0 3764.3699 14.100683
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1900 19982.599 64.405428 0 3764.8868 3.845421
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1950 16216.44 761.80238 0 3764.8469 19.871956
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2000 18584.234 322.15493 0 3763.6798 12.138618
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2050 20107.969 41.025039 0 3764.723 5.3930845
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2100 20002.411 60.57861 0 3764.7288 0.25780472
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2150 16948.844 626.76647 0 3765.4413 12.955652
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2200 20010.946 58.809564 0 3764.5403 -1.2241058
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2250 18982.703 247.01388 0 3762.3292 8.9782072
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2300 18401.642 354.81637 0 3762.5279 7.00181
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2350 19390.361 172.97181 0 3763.7793 1.8204299
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2400 16086.125 785.40108 0 3764.3132 -12.43145
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2450 18872.351 268.39211 0 3763.2718 14.60112
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2500 19684.688 118.25055 0 3763.5632 8.3452435
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2550 18878.925 267.2853 0 3763.3825 -0.4776104
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2600 17005.407 614.29162 0 3763.441 11.648752
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2650 18827.389 277.31059 0 3763.8641 8.0646841
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2700 19715.461 112.12451 0 3763.1358 6.611501
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2750 19319.449 185.79269 0 3763.4684 7.0469373
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2800 18120.942 406.44184 0 3762.1719 34.017493
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2850 19401.627 170.17075 0 3763.0647 6.6156058
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2900 20106.157 39.874788 0 3763.2371 3.9356029
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2950 16814.814 649.4335 0 3763.288 19.866275
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3000 16200.577 761.45184 0 3761.5588 24.481639
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3050 18396.676 356.11264 0 3762.9044 11.886991
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3100 17582.958 506.67523 0 3762.7786 -8.4420604
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3150 18362.109 362.43838 0 3762.8289 20.848538
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3200 17008.785 613.88943 0 3763.6645 17.861071
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3250 19614.194 130.81389 0 3763.072 6.9309301
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3300 18995.955 245.31261 0 3763.0821 -3.0930246
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3350 18215.815 389.87474 0 3763.1737 7.0361215
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3400 18068.71 417.08655 0 3763.144 9.961669
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3450 19352.914 179.0126 0 3762.8855 13.271847
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3500 18738.818 292.55665 0 3762.7082 8.7182296
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3550 19469.912 157.36508 0 3762.9044 9.8811856
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3600 18431.706 349.41269 0 3762.6916 9.8972814
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3650 18819.962 277.76095 0 3762.9392 10.602006
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3700 19813.675 93.945731 0 3763.1449 5.3804999
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3750 18075.078 415.77801 0 3763.0146 6.6699336
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3800 19422.14 166.53886 0 3763.2315 6.5699764
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3850 18013.209 427.44475 0 3763.2243 0.47129141
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3900 19193.889 208.87526 0 3763.2991 2.2645534
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3950 16568.188 695.64549 0 3763.8284 18.270973
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4000 17993.623 430.51008 0 3762.6626 10.839154
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4050 19625.511 128.63837 0 3762.9922 5.7391383
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4100 19069.298 231.35736 0 3762.7088 6.8146572
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4150 18033.877 424.02231 0 3763.6292 2.7693427
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4200 19950.626 68.482279 0 3763.0426 9.5547662
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4250 18786.19 284.10677 0 3763.0309 14.089513
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4300 19526.067 146.81821 0 3762.7565 3.5904061
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4350 16343.335 736.72783 0 3763.2714 39.410491
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4400 18759.668 288.81939 0 3762.8319 12.975401
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4450 18633.251 312.20135 0 3762.8033 10.199762
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4500 18079.31 414.80535 0 3762.8256 7.6705765
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4550 18288.498 376.11039 0 3762.8693 12.253044
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4600 18315.887 371.16083 0 3762.9918 5.0242317
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4650 18901.901 262.59396 0 3762.9459 2.7293238
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4700 19311.704 186.85051 0 3763.092 4.5926473
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4750 19426.54 165.69302 0 3763.2005 -1.3847183
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4800 18347.933 365.43611 0 3763.2015 7.9755076
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4850 19952.067 68.477491 0 3763.3047 8.9724781
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4900 19224.549 203.14962 0 3763.2513 8.0785966
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4950 19857.322 85.89601 0 3763.1779 6.7304247
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5000 19592.925 134.86246 0 3763.182 7.6141401
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5050 19472.16 157.37877 0 3763.3343 9.2091755
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5100 19814.831 93.787624 0 3763.2008 11.330509
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5150 18211.407 390.82193 0 3763.3047 13.81542
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5200 18828.994 276.3271 0 3763.1778 11.34844
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5250 20121.332 37.261735 0 3763.4344 6.7338019
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5300 17755.337 475.75071 0 3763.7761 14.167064
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5350 20033.05 53.761483 0 3763.5855 5.3749453
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5400 19332.059 183.54479 0 3763.5557 7.4674926
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5450 19964.421 66.56191 0 3763.677 6.1167743
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5500 19838.257 89.969443 0 3763.7207 3.3591427
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5550 19202.804 207.40212 0 3763.4769 16.351587
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5600 19855.825 86.760789 0 3763.7654 8.0189044
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5650 19060.478 234.22396 0 3763.9421 6.1572157
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5700 20124.587 37.161564 0 3763.937 7.5696918
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5750 19304.489 189.01672 0 3763.9221 5.7150756
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5800 18516.206 335.07659 0 3764.0036 3.5806069
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5850 18093.127 413.01533 0 3763.5945 7.8629917
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5900 17303.637 559.08088 0 3763.458 2.7072615
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5950 19818.733 93.796285 0 3763.932 8.9805512
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6000 18162.182 400.57864 0 3763.9457 13.263234
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6050 18439.177 349.30792 0 3763.9703 6.4756606
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6100 18899.456 263.84185 0 3763.741 10.898781
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6150 17317.004 556.71789 0 3763.5704 11.704857
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6200 18991.81 246.89696 0 3763.8989 3.2286864
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6250 19868.798 84.388048 0 3763.795 5.9103508
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6300 18989.135 247.26992 0 3763.7763 18.604444
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6350 15978.578 804.89 0 3763.8858 12.169877
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6400 18967.47 251.22915 0 3763.7236 6.8735765
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6450 19294.369 190.87058 0 3763.9019 -1.5455507
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6500 19826.451 92.014872 0 3763.5798 7.2553554
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6550 17480.845 526.28717 0 3763.4807 5.5505499
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6600 17806.087 465.8384 0 3763.262 26.481782
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6650 17942.192 439.48981 0 3762.118 11.35985
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6700 16468.094 712.95472 0 3762.6018 14.069858
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6750 19305.119 188.34815 0 3763.3703 7.052136
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6800 19988.201 62.004452 0 3763.5231 6.5334797
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6850 20193.079 24.117041 0 3763.5761 3.4827497
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6900 20011.596 57.729546 0 3763.5806 3.4890214
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6950 18419.577 352.48285 0 3763.5157 0.47973678
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7000 19178.531 212.01179 0 3763.5917 8.9488095
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7050 18754.875 289.8693 0 3762.9942 15.271004
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7100 19179.381 211.26035 0 3762.9975 7.7065367
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7150 18221.392 388.75188 0 3763.0837 -5.5870803
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7200 19508.765 150.73861 0 3763.4729 0.86924221
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7250 16779.268 656.19712 0 3763.4689 9.6537749
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7300 19184.405 210.6069 0 3763.2744 1.3949529
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7350 17914.948 445.90458 0 3763.4876 8.5105795
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7400 14040.559 1164.2709 0 3764.3744 -18.733631
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7450 17680.643 489.04226 0 3763.2354 7.7465943
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7500 15575.048 879.11471 0 3763.3829 11.73774
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7550 16738.339 663.36831 0 3763.0607 19.071113
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7600 18927.126 258.2804 0 3763.3038 8.7575196
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7650 17033.929 610.18818 0 3764.6195 20.103976
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7700 17800.589 463.84003 0 3760.2454 -0.58664763
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7750 18337.643 367.47891 0 3763.3388 3.0646364
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7800 20102.521 40.465427 0 3763.1544 5.890522
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7850 18854.307 271.72975 0 3763.2681 21.40115
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7900 18769.869 287.08151 0 3762.9832 13.873827
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7950 19530.556 146.69214 0 3763.4618 6.9677806
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8000 17967.757 436.48149 0 3763.8439 -8.7686357
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8050 19995.451 60.489084 0 3763.3503 -0.16755556
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8100 17668.554 491.39156 0 3763.346 5.2085894
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8150 17041.937 607.0112 0 3762.9255 32.910713
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8200 19634.282 127.02828 0 3763.0064 10.156284
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8250 19464.43 158.26891 0 3762.7929 4.6092644
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8300 18262.088 380.75171 0 3762.6199 -2.8465886
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8350 19154.678 214.95549 0 3762.118 7.9411401
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8400 18631.904 312.04844 0 3762.4011 8.5365875
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8450 17326.79 552.9849 0 3761.6497 5.5282777
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8500 18262.986 380.59746 0 3762.6319 4.5328455
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8550 16355.636 733.37813 0 3762.1995 -0.081116392
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8600 17652.805 494.50385 0 3763.5419 7.9532832
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8650 16589.75 690.94159 0 3763.1175 5.9389722
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8700 18767.632 287.52175 0 3763.0091 8.5339813
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8750 19530.676 145.40209 0 3762.194 13.700999
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8800 16209.935 760.89243 0 3762.7323 -3.8758006
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8850 19909.854 75.790768 0 3762.8008 7.227949
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8900 19162.868 213.40033 0 3762.0797 13.090144
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8950 17996.377 429.38719 0 3762.0496 11.184399
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9000 17366.686 545.41384 0 3761.4667 1.1354401
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9050 16976.454 618.54424 0 3762.332 2.9998911
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9100 19419.965 166.18943 0 3762.4793 9.2514375
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9150 17900.022 448.30981 0 3763.1287 1.7569818
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9200 18662.637 306.89813 0 3762.942 9.9910386
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9250 19806.478 95.487105 0 3763.3534 1.7132635
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9300 19065.731 233.31844 0 3764.0093 5.8910882
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9350 15347.66 921.21669 0 3763.3759 8.8446349
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9400 18056.449 416.32084 0 3760.1078 19.958532
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9450 19104.743 225.75045 0 3763.6658 6.8595588
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9500 18193.488 394.55096 0 3763.7154 5.7859475
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9550 17005.07 614.383 0 3763.4701 26.389911
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9600 18956.557 253.26137 0 3763.7349 9.313651
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9650 18278.345 379.38464 0 3764.2634 -5.9106259
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9700 19791.354 98.864736 0 3763.9303 7.4991305
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9750 19840.264 89.82519 0 3763.9482 3.3775783
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9800 19120.304 222.91513 0 3763.7122 -2.4237742
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9850 15643.719 866.53246 0 3763.5175 4.7456523
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9900 16998.456 616.53609 0 3764.3983 -1.5467682
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9950 19670.981 121.07532 0 3763.8496 8.7750881
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10000 16544.589 699.98952 0 3763.8022 -7.723777
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Loop time of 26.9527 on 1 procs for 10000 steps with 81 atoms
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Pair time (%) = 0.688746 (2.55539)
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Neigh time (%) = 0.27122 (1.00628)
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Comm time (%) = 0.133495 (0.495294)
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Outpt time (%) = 0.140981 (0.523068)
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Other time (%) = 25.7183 (95.42)
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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: 71 ave 71 max 71 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 528 ave 528 max 528 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 528
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Ave neighs/atom = 6.51852
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Neighbor list builds = 993
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Dangerous builds = 946
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