Elements: Si
Masses in g/mol (must match order of elements above): ['28.0855']
Model: Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_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: -97.686475 eV
Total energy with isolated atomic energies subtracted: -97.686475 eV