LAMMPS (7 Aug 2013) Lattice spacing in x,y,z = 4.43 4.43 4.43 Created orthogonal box = (0 0 0) to (88.6 88.6 88.6) 1 by 1 by 1 MPI processor grid Created 32000 atoms Setting up run ... Memory usage per processor = 18.2361 Mbytes Step Temp E_pair E_mol TotEng Press 0 200 -741.55469 0 85.684388 -34.939092 100 108.37517 -362.56658 0 85.694308 3963.7892 Loop time of 5.53531 on 1 procs for 100 steps with 32000 atoms Pair time (%) = 4.7712 (86.1957) Neigh time (%) = 0.655387 (11.8401) Comm time (%) = 0.0243204 (0.439368) Outpt time (%) = 0.000120163 (0.00217084) Other time (%) = 0.0842826 (1.52264) Nlocal: 32000 ave 32000 max 32000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 20131 ave 20131 max 20131 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 2.09236e+06 ave 2.09236e+06 max 2.09236e+06 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 2092355 Ave neighs/atom = 65.3861 Neighbor list builds = 5 Dangerous builds = 0