Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: SW_LeeHwang_2012GGA_Si__MO_040570764911_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: -2.4874171 eV Unrelaxed energy with isolated atomic energies subtracted: -2.4874171 eV Raw relaxed total potential energy: -5.173253 eV Relaxed energy with isolated atomic energies subtracted: -5.173253 eV