Mo fcc Sim_LAMMPS_SNAP_ChenDengTran_2017_Mo__SM_003882782678_000 4.042378067970276 Optimization terminated successfully. Current function value: -88.444218 Iterations: 1064 Function evaluations: 3169 C11 = 123.023601 +/- 0.007336 GPa C12 = 235.208608 +/- 0.005187 GPa C44 = 54.824747 +/- 0.001834 GPa B = 197.813605 +/- 0.004235 GPa