Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: ThreeBodyBondOrder_KDS_KhorDasSarma_1988_Si__MO_722489435928_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: -0.0099573529 eV Unrelaxed energy with isolated atomic energies subtracted: -0.0099573529 eV Raw relaxed total potential energy: -21.568291 eV Relaxed energy with isolated atomic energies subtracted: -21.568291 eV