Mo bcc Sim_LAMMPS_SNAP_ChenDengTran_2017_Mo__SM_003882782678_000 3.1599882096052174 Optimization terminated successfully. Current function value: -44.811950 Iterations: 81 Function evaluations: 218 C11 = 472.823840 +/- 0.007336 GPa C12 = 151.931981 +/- 0.005187 GPa C44 = 106.579053 +/- 0.001834 GPa B = 258.895934 +/- 0.004235 GPa