Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: SW_HauchHollandMarder_1999Brittle_Si__MO_119167353542_005 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: 21.75413 eV Unrelaxed energy with isolated atomic energies subtracted: 21.75413 eV Raw relaxed total potential energy: -9.7587726 eV Relaxed energy with isolated atomic energies subtracted: -9.7587726 eV