Pd diamond Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_000 5.836676947772503 Optimization terminated successfully. Current function value: -20.266680 Iterations: 1064 Function evaluations: 3164 C11 = -481279.924698 +/- 0.007336 GPa C12 = 93.443934 +/- 0.005187 GPa C44 = -361002.200003 +/- 0.001834 GPa B = -160364.345610 +/- 0.004235 GPa