O fcc Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001 2.869785308837891 Optimization terminated successfully. Current function value: 5.069749 Iterations: 64 Function evaluations: 173 C11 = 44310.028323 +/- 0.007336 GPa C12 = 43636.454962 +/- 0.005187 GPa C44 = 1308.079104 +/- 0.001834 GPa B = 43860.979416 +/- 0.004235 GPa