Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000 XYZ file: cluster.xyz Isolated atomic energy for species Si: 0.0 eV Sum of isolated atomic energies: 0.0 eV Raw unrelaxed total potential energy: -8.5753025 eV Unrelaxed energy with isolated atomic energies subtracted: -8.5753025 eV Raw relaxed total potential energy: -10.547084 eV Relaxed energy with isolated atomic energies subtracted: -10.547084 eV