Mo sc Sim_LAMMPS_SNAP_ChenDengTran_2017_Mo__SM_003882782678_000 2.532836578786373 Optimization terminated successfully. Current function value: -21.894745 Iterations: 74 Function evaluations: 197 C11 = 610.573912 +/- 0.007336 GPa C12 = 150.685991 +/- 0.005187 GPa C44 = 13.307046 +/- 0.001834 GPa B = 303.981964 +/- 0.004235 GPa