Fe fcc Pair_Johnson_Fe__MO_857282754307_003 3.700485944747925 Optimization terminated successfully. Current function value: -6.039313 Iterations: 75 Function evaluations: 204 C11 = 165.788612 +/- 0.007336 GPa C12 = 82.894565 +/- 0.005187 GPa C44 = 82.894641 +/- 0.001834 GPa B = 110.525914 +/- 0.004235 GPa