Au bcc Sim_LAMMPS_ReaxFF_KeithFantauzziJacob_2010_AuO__SM_974345878378_001 3.298109486699104 Optimization terminated successfully. Current function value: -7.278868 Iterations: 70 Function evaluations: 188 C11 = 111.649921 +/- 0.007336 GPa C12 = 140.258253 +/- 0.005187 GPa C44 = 140.258881 +/- 0.001834 GPa B = 130.722142 +/- 0.004235 GPa