Elements: Si Masses in g/mol (must match order of elements above): ['28.0855'] Model: ThreeBodyBondOrder_PPM_PurjaPunMishin_2017_Si__MO_566683736730_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: -34.176652 eV Total energy with isolated atomic energies subtracted: -34.176652 eV