He fcc Sim_LAMMPS_Hybrid_DuanXieGuo_2019__SM_016305073020_000 4.14023120701313 Optimization terminated successfully. Current function value: -31.446355 Iterations: 74 Function evaluations: 195 C11 = 72.069978 +/- 0.007336 GPa C12 = 147.446091 +/- 0.005187 GPa C44 = 69.292172 +/- 0.001834 GPa B = 122.320720 +/- 0.004235 GPa