units metal atom_style atomic boundary p p p box tilt large read_data output/lammps_inputs/lammps.data pair_style kim KIMvirial Tersoff_LAMMPS_Erhart_Albe_SiII_CSi__MO_408791041969_001 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" fix 1 all box/relax iso 0.0 thermo_style custom pe press minimize 0.00000001 0.00000001 2000 100000