Au diamond Sim_LAMMPS_ADP_WangXuQian_2021_AuRh__SM_066295357485_000 5.902898356318474 Optimization terminated successfully. Current function value: -21.265422 Iterations: 69 Function evaluations: 180 C11 = -460251.852090 +/- 0.007336 GPa C12 = 114.214042 +/- 0.005187 GPa C44 = -345224.253044 +/- 0.001834 GPa B = -153341.141335 +/- 0.004235 GPa