Au fcc Sim_LAMMPS_ReaxFF_KeithFantauzziJacob_2010_AuO__SM_974345878378_001 4.165284737944603 Optimization terminated successfully. Current function value: -14.996667 Iterations: 70 Function evaluations: 185 C11 = 208.600424 +/- 0.007336 GPa C12 = 110.153854 +/- 0.005187 GPa C44 = 110.156688 +/- 0.001834 GPa B = 142.969377 +/- 0.004235 GPa