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 = 16.8628 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 4.71197 on 1 procs for 100 steps with 32000 atoms Pair time (%) = 4.16929 (88.4831) Neigh time (%) = 0.434233 (9.21553) Comm time (%) = 0.0237658 (0.504371) Outpt time (%) = 0.000121117 (0.0025704) Other time (%) = 0.084554 (1.79445) 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: 1.88909e+06 ave 1.88909e+06 max 1.88909e+06 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1889091 Ave neighs/atom = 59.0341 Neighbor list builds = 5 Dangerous builds = 0