units metal atom_style atomic boundary p p p box tilt large atom_modify sort 0 0 read_data {datafile} pair_style kim {modelname} pair_coeff * * {symbol} dump dumpid all custom 1 {dumpfile} id type x y z fx fy fz dump_modify dumpid sort id format line "%d %d %16.7f %16.7f %16.7f %16.7f %16.7f %16.7f" thermo_style custom pe run 0