Elements: Si
Masses in g/mol (must match order of elements above): 28.0855
Model: Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000
XYZ file: cluster.xyz

Isolated atomic energy for species Si: -0.0707347134620654 eV

Sum of isolated atomic energies: -0.353673567310327 eV

Raw unrelaxed total potential energy: 2.6355533 eV
Unrelaxed energy with isolated atomic energies subtracted: 2.989226867310327 eV 


Raw relaxed total potential energy: -13.027998 eV
Relaxed energy with isolated atomic energies subtracted: -12.674324432689673 eV