units metal atom_style atomic boundary f f f box tilt large read_data output/lammps_inputs/cluster.data pair_style kim LAMMPSvirial Three_Body_Stillinger_Weber_Zhang_Silicene_Model2_Si__MO_475612090600_003 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 minimize 0.000001 0.000001 2000 100000