Ni bcc Sim_LAMMPS_ADP_XuWangQian_2022_NiRh__SM_306597220004_000 2.804525345563888 Optimization terminated successfully. Current function value: -8.762716 Iterations: 71 Function evaluations: 185 C11 = 149.705192 +/- 0.007336 GPa C12 = 147.310475 +/- 0.005187 GPa C44 = 133.267952 +/- 0.001834 GPa B = 148.108714 +/- 0.004235 GPa