Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: SW_BalamaneHaliciogluTiller_1992_Si__MO_113686039439_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: -3.5175661 eV Unrelaxed energy with isolated atomic energies subtracted: -3.5175661 eV Raw relaxed total potential energy: -4.7419682 eV Relaxed energy with isolated atomic energies subtracted: -4.7419682 eV