O diamond Sim_LAMMPS_ReaxFF_KeithFantauzziJacob_2010_AuO__SM_974345878378_001 4.043487459421158 Optimization terminated successfully. Current function value: -8.520091 Iterations: 75 Function evaluations: 201 C11 = 601.443079 +/- 0.007336 GPa C12 = 193.466673 +/- 0.005187 GPa C44 = 155.173062 +/- 0.001834 GPa B = 329.458809 +/- 0.004235 GPa