Ta diamond Sim_LAMMPS_Hybrid_DuanXieGuo_2019__SM_016305073020_000 6.682180143892766 Optimization terminated successfully. Current function value: -0.020559 Iterations: 73 Function evaluations: 180 C11 = 0.359289 +/- 0.007336 GPa C12 = 0.379892 +/- 0.005187 GPa C44 = -0.005965 +/- 0.001834 GPa B = 0.373024 +/- 0.004235 GPa