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: -5.9276341 eV Unrelaxed energy with isolated atomic energies subtracted: -5.9276341 eV Raw relaxed total potential energy: -7.4643956 eV Relaxed energy with isolated atomic energies subtracted: -7.4643956 eV