Fe sc Pair_Johnson_Fe__MO_857282754307_003 2.61663869023
Warning: Maximum number of function evaluations has been exceeded.

C11 =   117.230651 +/-     0.007336 GPa
C12 =     0.000000 +/-     0.005187 GPa
C44 =     0.000058 +/-     0.001834 GPa
B   =    39.076884 +/-     0.004235 GPa