Pd bcc Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_000 3.112781025469303 Optimization terminated successfully. Current function value: -7.626080 Iterations: 74 Function evaluations: 195 C11 = 146.447253 +/- 0.007336 GPa C12 = 165.579859 +/- 0.005187 GPa C44 = 74.867485 +/- 0.001834 GPa B = 159.202324 +/- 0.004235 GPa