B bcc Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_000 2.150498852133751 Optimization terminated successfully. Current function value: -11.375976 Iterations: 72 Function evaluations: 192 C11 = 4573.881295 +/- 0.007336 GPa C12 = 3018.689737 +/- 0.005187 GPa C44 = 765.214353 +/- 0.001834 GPa B = 3537.086923 +/- 0.004235 GPa