Elements: Si
Masses in g/mol (must match order of elements above): 28.0855
Model: Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000
XYZ file: cluster.xyz

Isolated atomic energy for species Si: 0.0 eV

Sum of isolated atomic energies: 0.0 eV

Raw unrelaxed total potential energy: -3.9467628 eV
Unrelaxed energy with isolated atomic energies subtracted: -3.9467628 eV 


Raw relaxed total potential energy: -9.1539252 eV
Relaxed energy with isolated atomic energies subtracted: -9.1539252 eV