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: triclinicpbc.xyz Isolated atomic energy for species Si: 0.0 eV Sum of isolated atomic energies: 0.0 eV Raw total energy: -41.210007 eV Total energy with isolated atomic energies subtracted: -41.210007 eV