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: cluster.xyz

Isolated atomic energy for species Si: 0.0 eV

Sum of isolated atomic energies: 0.0 eV

Raw unrelaxed total potential energy: -18.72368 eV
Unrelaxed energy with isolated atomic energies subtracted: -18.72368 eV 


Raw relaxed total potential energy: -22.906032 eV
Relaxed energy with isolated atomic energies subtracted: -22.906032 eV