Fe diamond Pair_Johnson_Fe__MO_857282754307_003 6.04286825656891 Optimization terminated successfully. Current function value: -4.026209 Iterations: 1064 Function evaluations: 3173 C11 = 16.920739 +/- 0.007336 GPa C12 = 16.920769 +/- 0.005187 GPa C44 = 0.000156 +/- 0.001834 GPa B = 16.920759 +/- 0.004235 GPa