Elements: Si Masses in g/mol (must match order of elements above): ['28.0855'] Model: Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_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: -36.18312 eV Total energy with isolated atomic energies subtracted: -36.18312 eV