B fcc Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001 2.7405955269932747 Optimization terminated successfully. Current function value: -21.327838 Iterations: 71 Function evaluations: 187 C11 = 4924.459244 +/- 0.007336 GPa C12 = 5216.410798 +/- 0.005187 GPa C44 = 156.789492 +/- 0.001834 GPa B = 5119.093613 +/- 0.004235 GPa