Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003 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: 3.8412228 eV Unrelaxed energy with isolated atomic energies subtracted: 3.8412228 eV Raw relaxed total potential energy: -9.5001568 eV Relaxed energy with isolated atomic energies subtracted: -9.5001568 eV