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: triclinicpbc.xyz Isolated atomic energy for species Si: 0.0 eV Sum of isolated atomic energies: 0.0 eV Raw total energy: -35.702756 eV Total energy with isolated atomic energies subtracted: -35.702756 eV