N fcc Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001 2.904429405927658 Optimization terminated successfully. Current function value: -6.550376 Iterations: 74 Function evaluations: 195 C11 = 4699.478559 +/- 0.007336 GPa C12 = 6082.144763 +/- 0.005187 GPa C44 = -588.056197 +/- 0.001834 GPa B = 5621.256028 +/- 0.004235 GPa