Fe sc Pair_Johnson_Fe__MO_857282754307_003 2.616638690233231 Optimization terminated successfully. Current function value: -0.754914 Iterations: 1064 Function evaluations: 3169 C11 = 117.230651 +/- 0.007336 GPa C12 = 0.000000 +/- 0.005187 GPa C44 = 0.000058 +/- 0.001834 GPa B = 39.076884 +/- 0.004235 GPa