O fcc Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001 3.678769797086716 Optimization terminated successfully. Current function value: -2.862039 Iterations: 79 Function evaluations: 195 C11 = 3707640.860609 +/- 0.007336 GPa C12 = -1236306.731848 +/- 0.005187 GPa C44 = 1376315.631293 +/- 0.001834 GPa B = 411675.798971 +/- 0.004235 GPa