Fe diamond Pair_Johnson_Fe__MO_857282754307_003 6.04286825657
Warning: Maximum number of function evaluations has been exceeded.

C11 =    16.920739 +/-     0.007336 GPa
C12 =    16.920769 +/-     0.005187 GPa
C44 =     0.000156 +/-     0.001834 GPa
B   =    16.920759 +/-     0.004235 GPa