Elements: Si Masses in g/mol (must match order of elements above): 28.0855 Model: ThreeBodyCluster_SRS_StephensonRadnySmith_1996_Si__MO_604248666067_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: -19.841078 eV Unrelaxed energy with isolated atomic energies subtracted: -19.841078 eV Raw relaxed total potential energy: -21.115797 eV Relaxed energy with isolated atomic energies subtracted: -21.115797 eV