Au sc Sim_LAMMPS_ReaxFF_KeithFantauzziJacob_2010_AuO__SM_974345878378_001 2.933222025632858 Optimization terminated successfully. Current function value: -3.052650 Iterations: 70 Function evaluations: 180 C11 = 159.347676 +/- 0.007336 GPa C12 = -5.240216 +/- 0.005187 GPa C44 = -5.240924 +/- 0.001834 GPa B = 49.622414 +/- 0.004235 GPa