Mo diamond Sim_LAMMPS_SNAP_ChenDengTran_2017_Mo__SM_003882782678_000 5.38414746523 Optimization terminated successfully. Current function value: -172.906294 Iterations: 73 Function evaluations: 195 C11 = 343.515119 +/- 0.007336 GPa C12 = 192.094915 +/- 0.005187 GPa C44 = 116.569728 +/- 0.001834 GPa B = 242.568316 +/- 0.004235 GPa