Fe sc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 2.513207584619522
Warning: Maximum number of iterations has been exceeded.

C11 =  1702.206677 +/-     0.007336 GPa
C12 =  -198.811081 +/-     0.005187 GPa
C44 =  -174.925372 +/-     0.001834 GPa
B   =   434.861505 +/-     0.004235 GPa