Elements: Si Masses in g/mol (must match order of elements above): ['28.0855'] Model: MFF_MistriotisFlytzanisFarantos_1989_Si__MO_080526771943_001 XYZ file: triclinicpbc.xyz Isolated atomic energy for species Si: 0.0 eV Sum of isolated atomic energies: 0.0 eV Raw total energy: -230.6807 eV Total energy with isolated atomic energies subtracted: -230.6807 eV