LAMMPS (7 Jul 2009) Lattice spacing in x,y,z = 4.404 4.404 4.404 Created orthogonal box = (0 0 0) to (4.404 4.404 4.404) 1 by 1 by 1 processor grid Created 1 atoms Created 1 atoms Created 1 atoms Created 1 atoms Created 1 atoms Created 1 atoms Created 1 atoms Created 1 atoms Replicating atoms ... orthogonal box = (0 0 0) to (44.04 44.04 44.04) 1 by 1 by 1 processor grid 8000 atoms Deleted 32 atoms, new total = 7968 Deleted 32 atoms, new total = 7936 Setting up run ... Memory usage per processor = 13.058 Mbytes Step Temp Press TotEng PotEng E_pair 0 2000.0087 -28653.548 -48781.935 -50833.302 -50833.302 1 1929.3206 -25248.333 -48781.017 -50759.881 -50759.881 2 1730.785 -15745.343 -48778.466 -50553.696 -50553.696 3 1446.6667 -2366.3102 -48774.273 -50258.089 -50258.089 4 1143.5078 11565.737 -48769.18 -49942.052 -49942.052 5 898.25213 22394.169 -48765.102 -49686.42 -49686.42 6 770.53326 27390.122 -48764.048 -49554.368 -49554.368 7 776.29103 25869.867 -48766.224 -49562.449 -49562.449 8 884.63033 19305.615 -48770.021 -49677.368 -49677.368 9 1038.6303 10421.842 -48773.675 -49838.977 -49838.977 10 1180.667 2065.3504 -48776.275 -49987.26 -49987.26 11 1267.736 -3546.2433 -48777.644 -50077.934 -50077.934 12 1276.2445 -5133.45 -48777.879 -50086.896 -50086.896 13 1201.7839 -2414.7469 -48777.073 -50009.718 -50009.718 14 1057.9024 3928.2785 -48775.288 -49860.356 -49860.356 15 874.35725 12357.779 -48772.742 -49669.552 -49669.552 16 692.45292 20750.761 -48770.068 -49480.303 -49480.303 17 555.0717 26911.257 -48768.071 -49337.397 -49337.397 18 495.35461 29123.442 -48767.124 -49275.199 -49275.199 Loop time of 2.21881 on 1 procs for 18 steps with 7936 atoms Pair time (%) = 1.21991 (54.9807) Neigh time (%) = 0.020638 (0.930139) Comm time (%) = 0.00156617 (0.0705862) Outpt time (%) = 0.970713 (43.7493) Other time (%) = 0.00597501 (0.269289) Nlocal: 7936 ave 7936 max 7936 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 5049 ave 5049 max 5049 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 113081 ave 113081 max 113081 min Histogram: 1 0 0 0 0 0 0 0 0 0 FullNghs: 226162 ave 226162 max 226162 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 226162 Ave neighs/atom = 28.4982 Neighbor list builds = 1 Dangerous builds = 1