O fcc Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001 2.675361156463623 Optimization terminated successfully. Current function value: -2.561609 Iterations: 65 Function evaluations: 179 C11 = 98905.341593 +/- 0.007336 GPa C12 = 95943.248746 +/- 0.005187 GPa C44 = 4683.872976 +/- 0.001834 GPa B = 96930.613028 +/- 0.004235 GPa