Fe fcc Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000 3.647307395935058 Optimization terminated successfully. Current function value: -16.604588 Iterations: 1064 Function evaluations: 3167 C11 = 205.890373 +/- 0.007336 GPa C12 = 141.274529 +/- 0.005187 GPa C44 = 101.150651 +/- 0.001834 GPa B = 162.813144 +/- 0.004235 GPa