Fe diamond Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000 5.596843421459198 Optimization terminated successfully. Current function value: -16.490418 Iterations: 1012 Function evaluations: 3015 C11 = 35.893554 +/- 0.007336 GPa C12 = 39.896310 +/- 0.005187 GPa C44 = -6.195793 +/- 0.001834 GPa B = 38.562058 +/- 0.004235 GPa