Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_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: 15.338187 eV Unrelaxed energy with isolated atomic energies subtracted: 15.338187 eV Raw relaxed total potential energy: -10.280975 eV Relaxed energy with isolated atomic energies subtracted: -10.280975 eV