forked from lijiext/lammps
308 lines
17 KiB
Groff
308 lines
17 KiB
Groff
LAMMPS (21 May 2008)
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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 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 = 2.04938 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 -2.7403788
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50 12167.633 1505.5478 0 3758.8133 35.125973
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100 17556.978 512.66277 0 3763.9549 11.137534
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150 19579.586 138.04942 0 3763.8987 -29.953971
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200 19757.51 105.30542 0 3764.1036 -0.030645317
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250 18218.374 390.10747 0 3763.8804 13.711001
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300 19383.039 174.40688 0 3763.8586 5.7240693
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350 20125.986 36.972611 0 3764.0071 1.9559205
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400 18888.816 266.10975 0 3764.0386 9.6362168
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450 19307.656 188.2511 0 3763.743 1.9326206
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500 16331.197 738.56392 0 3762.8597 9.1715579
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550 19318.722 186.16172 0 3763.7027 3.0115336
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600 19455.268 161.20621 0 3764.0336 0.55208034
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650 18487.011 340.03216 0 3763.5528 -8.0359122
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700 17321.201 556.32471 0 3763.9545 -13.631751
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750 18979.187 249.04389 0 3763.7082 -2.6072455
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800 19342.456 181.85552 0 3763.7918 8.1918726
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850 19070.641 232.19342 0 3763.7936 7.3148472
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900 19478.873 156.65987 0 3763.8586 2.4284987
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950 19912.415 76.437437 0 3763.9216 -1.4667227
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1000 16003.749 802.39753 0 3766.0548 46.642188
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1050 19859.583 86.64176 0 3764.3424 -2.1961943
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1100 19229.575 203.61488 0 3764.6473 -10.632365
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1150 18821.6 279.15861 0 3764.64 -0.89495035
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1200 19392.695 173.59744 0 3764.8373 1.8508753
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1250 16459.624 717.32104 0 3765.3995 33.478127
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1300 19343.863 182.59043 0 3764.7874 0.75890736
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1350 20019.643 57.503573 0 3764.8448 0.31444672
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1400 18549.582 329.31436 0 3764.4221 10.738303
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1450 15163.926 957.47584 0 3765.6103 -17.923459
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1500 19223.688 204.15171 0 3764.0939 -1.6134537
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1550 18147.996 404.12676 0 3764.8668 8.4194772
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1600 18615.043 317.42465 0 3764.6548 -2.3288964
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1650 20120.654 38.887931 0 3764.935 -8.7620234
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1700 19450.906 162.98288 0 3765.0025 2.3254699
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1750 19374.633 177.3795 0 3765.2744 8.9328779
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1800 19424.403 167.93973 0 3765.0514 0.081235304
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1850 17936.331 442.82718 0 3764.3699 6.6008391
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1900 19982.596 64.40603 0 3764.8868 -2.9530194
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1950 16215.981 761.88879 0 3764.8481 13.994088
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2000 18584.381 322.128 0 3763.68 7.1655135
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2050 20107.966 41.025597 0 3764.723 -0.31094122
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2100 20002.35 60.589881 0 3764.7288 -6.7919416
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2150 16949.562 626.63321 0 3765.441 3.5096306
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2200 20010.952 58.808561 0 3764.5403 -10.86228
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2250 18982.725 247.00987 0 3762.3292 -0.53791914
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2300 18401.372 354.86612 0 3762.5275 1.0918754
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2350 19390.489 172.94794 0 3763.7793 -3.3526861
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2400 16081.953 786.17478 0 3764.3143 -16.196885
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2450 18870.833 268.6722 0 3763.2708 11.190569
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2500 19687.509 117.72716 0 3763.5621 4.3895758
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2550 18872.588 268.46009 0 3763.3837 -5.65615
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2600 17016.358 612.26248 0 3763.4398 6.3212358
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2650 18770.003 287.95778 0 3763.8843 2.3918934
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2700 19736.664 108.26363 0 3763.2014 -0.29985725
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2750 19503.072 151.75954 0 3763.4396 -1.6107925
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2800 18406.518 353.53932 0 3762.1537 21.011955
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2850 18588.513 320.69227 0 3763.0095 3.8268039
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2900 20117.999 37.673729 0 3763.2291 0.3860655
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2950 15648.583 864.90426 0 3762.79 14.652139
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3000 18110.003 409.12743 0 3762.8316 7.3046684
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3050 18963.762 251.51142 0 3763.3192 8.8730034
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3100 19360.233 177.87688 0 3763.1052 -3.0033938
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3150 19397.488 171.24407 0 3763.3715 -8.1894526
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3200 19861.487 85.443126 0 3763.4963 -7.9892279
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3250 18129.617 406.07108 0 3763.4075 6.2227523
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3300 18459.736 345.12838 0 3763.5981 -0.88498697
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3350 18418.177 352.87007 0 3763.6435 5.1465625
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3400 18198.837 393.573 0 3763.7281 17.906813
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3450 19394.696 171.91336 0 3763.5237 2.3061791
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3500 17989.508 431.57014 0 3762.9605 4.7721744
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3550 19839.796 89.461378 0 3763.4977 0.7558346
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3600 16651.367 679.91968 0 3763.5062 2.5921986
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3650 19640.802 126.3709 0 3763.5565 3.8008774
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3700 18760.791 289.23461 0 3763.4552 -0.23238761
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3750 18422.908 351.84447 0 3763.494 -5.7068362
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3800 19064.373 232.62149 0 3763.0609 1.9157181
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3850 20028.174 54.865473 0 3763.7867 -2.0675059
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3900 18363.88 363.15521 0 3763.8738 -0.83495509
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3950 19144.012 218.22273 0 3763.4102 1.2543164
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4000 17659.248 492.75853 0 3762.9896 12.60409
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4050 19998.728 60.090184 0 3763.5584 0.64359974
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4100 19023.135 240.33019 0 3763.133 -2.6947304
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4150 18396.797 356.71902 0 3763.5332 15.109139
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4200 18315.833 371.47968 0 3763.3006 -13.756621
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4250 18854.397 272.12483 0 3763.6798 8.1077459
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4300 18978.728 248.78988 0 3763.3692 -3.3208462
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4350 18786.658 284.24444 0 3763.2551 -1.7398125
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4400 18820.575 278.09291 0 3763.3846 6.4475568
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4450 19690.377 117.11929 0 3763.4855 4.012577
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4500 14617.737 1056.5845 0 3763.5729 7.0245567
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4550 18625.243 314.21779 0 3763.3369 4.0564911
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4600 19360.387 178.72404 0 3763.9809 0.33263149
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4650 19620.797 130.21216 0 3763.693 -5.4726773
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4700 19197.021 208.91339 0 3763.9173 -1.8042436
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4750 19411.985 169.01841 0 3763.8304 -10.694251
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4800 19056.192 234.93386 0 3763.8583 -2.7041261
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4850 19709.453 113.94779 0 3763.8465 1.8599983
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4900 19362.257 178.19337 0 3763.7966 5.1912208
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4950 18337.767 368.49428 0 3764.377 18.140067
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5000 19888.24 81.111906 0 3764.1194 2.5600957
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5050 19611.529 132.35796 0 3764.1227 -3.3822641
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5100 19566.081 140.69528 0 3764.0437 1.2449896
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5150 19532.854 146.74524 0 3763.9404 3.8524377
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5200 19373.811 176.3264 0 3764.0692 -4.3051482
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5250 19698.182 116.23114 0 3764.0427 -5.0585702
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5300 18474.212 342.91742 0 3764.0679 -1.6019006
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5350 19635.571 127.66714 0 3763.884 3.7584612
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5400 18607.657 318.08369 0 3763.9462 10.762902
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5450 19588.259 136.49518 0 3763.9505 6.1172117
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5500 19765.157 103.83083 0 3764.045 0.36918158
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5550 18217.985 390.52967 0 3764.2305 18.816738
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5600 19679.936 119.65589 0 3764.0885 1.7284717
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5650 18768.785 288.29767 0 3763.9986 -1.7550105
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5700 18474.924 342.54508 0 3763.8273 -0.47116767
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5750 19654.098 123.76064 0 3763.4084 2.9224335
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5800 19969.149 65.437823 0 3763.4283 1.5579018
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5850 19197.889 208.36188 0 3763.5265 10.018565
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5900 19069.242 232.23165 0 3763.5727 -2.3495992
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5950 19171.042 213.33502 0 3763.5281 4.3208294
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6000 19631.089 128.17938 0 3763.5662 5.1040226
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6050 17777.019 470.94145 0 3762.9819 3.2383249
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6100 19181.825 211.41374 0 3763.6035 3.2259341
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6150 20185.733 25.759429 0 3763.8581 -4.4522835
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6200 19874.491 83.403238 0 3763.8645 -8.6039321
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6250 19768.708 102.9028 0 3763.7747 -8.5795285
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6300 18936.55 256.8797 0 3763.6482 0.20667479
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6350 19346.44 180.9489 0 3763.6229 7.6373366
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6400 19167.283 214.16073 0 3763.6576 5.4329755
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6450 19757 104.94544 0 3763.6491 1.9851548
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6500 19641.69 126.44473 0 3763.7947 1.2730006
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6550 18916.37 260.97919 0 3764.0107 1.6515332
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6600 19431.157 165.31798 0 3763.6804 -7.8268121
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6650 17535.67 516.82965 0 3764.176 7.7374819
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6700 18820.205 278.4336 0 3763.6568 -11.297168
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6750 19400.73 170.37067 0 3763.0984 0.79131515
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6800 18455.468 345.88629 0 3763.5655 12.188053
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6850 17800.169 467.12041 0 3763.448 12.916841
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6900 18726.929 295.65024 0 3763.6 1.6289629
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6950 19271.689 194.65896 0 3763.4902 -4.083701
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7000 17981.935 433.45886 0 3763.4468 -6.3945803
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7050 18276.81 378.6811 0 3763.2756 12.872885
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7100 17861.241 455.74244 0 3763.3797 8.4221303
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7150 20051.69 49.967954 0 3763.2438 -2.5498008
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7200 19240.155 200.06954 0 3763.0612 11.392096
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7250 19496.154 152.73815 0 3763.137 -0.040582106
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7300 19647.869 124.5004 0 3762.9946 0.23514871
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7350 19246.833 198.85412 0 3763.0825 -0.73645767
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7400 19225.995 202.68281 0 3763.0522 3.0455791
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7450 18020.098 426.17136 0 3763.2266 -6.5226863
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7500 19214.283 204.97935 0 3763.1798 -0.2919171
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7550 19705.287 114.13715 0 3763.2643 7.041629
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7600 19178.956 211.59688 0 3763.2554 7.831605
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7650 20037.443 52.751944 0 3763.3896 -0.77979354
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7700 20016.2 56.704511 0 3763.4082 -1.8856173
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7750 18697.512 300.96503 0 3763.4672 -5.3462105
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7800 19937.068 71.362135 0 3763.4118 -0.91252014
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7850 20102.546 40.714553 0 3763.4083 -3.1972795
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7900 19480.106 155.99043 0 3763.4174 11.035723
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7950 19885.239 80.923563 0 3763.3753 3.2874193
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8000 19624.804 129.16452 0 3763.3874 -1.1516066
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8050 19803.792 96.006636 0 3763.3755 1.9821101
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8100 20011.845 57.495451 0 3763.3927 1.2382066
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8150 19200.484 207.59204 0 3763.2373 6.0568259
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8200 19827.269 91.624126 0 3763.3407 1.9883126
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8250 19842.958 88.703224 0 3763.3251 -4.5756698
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8300 18873.776 268.18104 0 3763.3247 -3.7359417
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8350 19486.037 154.68335 0 3763.2087 0.8929882
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8400 19934.053 71.48369 0 3762.975 0.08234901
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8450 19683.678 117.78109 0 3762.9067 -11.54709
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8500 18499.903 337.24598 0 3763.1539 -3.5045806
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8550 19753.252 104.83934 0 3762.849 5.8791033
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8600 20095.096 41.775811 0 3763.0899 -2.0563082
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8650 19876.199 82.371224 0 3763.1489 -2.4348814
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8700 15533.887 886.73227 0 3763.378 -6.6646724
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8750 17890.913 450.07003 0 3763.202 9.4926975
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8800 18705.916 298.95593 0 3763.0144 2.1309021
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8850 19505.191 150.78385 0 3762.8563 3.9049146
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8900 17389.794 540.29795 0 3760.6302 10.005241
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8950 18715.055 297.10888 0 3762.8597 4.8803289
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9000 19744.23 106.46616 0 3762.805 0.10287172
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9050 19838.109 89.008308 0 3762.7321 -4.7062413
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9100 17764.056 473.0557 0 3762.6957 3.8896676
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9150 17181.335 580.10083 0 3761.8295 11.628818
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9200 19223.407 202.50436 0 3762.3945 0.1590941
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9250 15947.899 808.02603 0 3761.3407 12.151805
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9300 19300.071 188.02038 0 3762.1075 -0.37927009
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9350 18285.048 375.69389 0 3761.8139 -1.4254912
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9400 19384.709 172.87653 0 3762.6374 0.95001481
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9450 16817.179 648.70645 0 3762.9988 -1.3207316
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9500 18964.068 250.55459 0 3762.419 1.6533798
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9550 19754.429 103.95948 0 3762.1871 -4.5609305
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9600 19811.139 93.102298 0 3761.8317 3.7563831
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9650 19152.708 215.04016 0 3761.838 12.440802
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9700 19963.416 65.083015 0 3762.0119 -3.0218611
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9750 19895.404 77.764801 0 3762.0988 -5.3121454
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9800 19008.238 242.21067 0 3762.2548 -3.8985859
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9850 19681.717 117.48371 0 3762.2461 -4.3300452
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9900 19741.039 106.38351 0 3762.1314 -0.15155351
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9950 17199.878 577.88679 0 3763.0494 13.40024
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10000 18985.433 246.5308 0 3762.3518 0.62625708
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Loop time of 7.52498 on 1 procs for 10000 steps with 81 atoms
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Pair time (%) = 0.212854 (2.82864)
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Neigh time (%) = 0.0927372 (1.23239)
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Comm time (%) = 0.0216842 (0.288163)
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Outpt time (%) = 0.0303783 (0.4037)
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Other time (%) = 7.16732 (95.2471)
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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: 64 ave 64 max 64 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 621 ave 621 max 621 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 621
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Ave neighs/atom = 7.66667
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Neighbor list builds = 995
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Dangerous builds = 967
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