Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: ThreeBodyBondOrder_WR_WangRockett_1991_Si__MO_081872846741_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: -10.56183 eV Unrelaxed energy with isolated atomic energies subtracted: -10.56183 eV Raw relaxed total potential energy: -17.815392 eV Relaxed energy with isolated atomic energies subtracted: -17.815392 eV