LAMMPS (11 Aug 2017) Lattice spacing in x,y,z = 3.3801 3.3801 3.3801 Created orthogonal box = (0 0 0) to (33.801 33.801 33.801) 1 by 1 by 1 MPI processor grid Created 8000 atoms Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 7.41666 ghost atom cutoff = 7.41666 binsize = 3.70833, bins = 10 10 10 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair kim, perpetual attributes: half, newton off pair build: half/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Setting up Verlet run ... Unit style : metal Current step : 0 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 12.65 | 12.65 | 12.65 Mbytes Step Temp E_pair E_mol TotEng Press Volume 0 253.15 -158326.04 0 -158064.29 7238.3478 38617.998 ERROR: Lost atoms: original 8000 current 7992 (../thermo.cpp:442) Last command: run 1000 1000