Au bcc Sim_LAMMPS_ADP_WangXuQian_2021_AuRh__SM_066295357485_000 3.2563789635896683 Optimization terminated successfully. Current function value: -7.556599 Iterations: 71 Function evaluations: 187 C11 = 145.178773 +/- 0.007336 GPa C12 = 171.413347 +/- 0.005187 GPa C44 = 54.778056 +/- 0.001834 GPa B = 162.668489 +/- 0.004235 GPa