B sc Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_000 1.7689607143402102 Optimization terminated successfully. Current function value: -5.713905 Iterations: 69 Function evaluations: 182 C11 = 1168.096588 +/- 0.007336 GPa C12 = -0.000000 +/- 0.005187 GPa C44 = 64.509645 +/- 0.001834 GPa B = 389.365529 +/- 0.004235 GPa