Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_002 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: 33.275253 eV Unrelaxed energy with isolated atomic energies subtracted: 33.275253 eV Raw relaxed total potential energy: -14.021911 eV Relaxed energy with isolated atomic energies subtracted: -14.021911 eV