O fcc Sim_LAMMPS_ReaxFF_KeithFantauzziJacob_2010_AuO__SM_974345878378_001 6.481930732727051 Optimization terminated successfully. Current function value: -0.497214 Iterations: 73 Function evaluations: 190 C11 = 0.408437 +/- 0.007336 GPa C12 = 0.243671 +/- 0.005187 GPa C44 = 0.243678 +/- 0.001834 GPa B = 0.298593 +/- 0.004235 GPa