Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: ThreeBodyCluster_KP_KaxirasPandey_1988_Si__MO_072486242437_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: -11.827035 eV Unrelaxed energy with isolated atomic energies subtracted: -11.827035 eV Raw relaxed total potential energy: -13.984513 eV Relaxed energy with isolated atomic energies subtracted: -13.984513 eV