units metal atom_style atomic boundary p p p box tilt large atom_modify sort 0 0 read_data output/lammps_inputs/TriclinicPBC.data pair_style kim Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000 pair_coeff * * Si dump dumpid all custom 1 output/lammps_dump/lammps.dump 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