Fe bcc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 2.90580894798
Warning: Maximum number of function evaluations has been exceeded.

C11 =   873.418204 +/-     0.007336 GPa
C12 =  1066.399927 +/-     0.005187 GPa
C44 =  1067.575800 +/-     0.001834 GPa
B   =  1002.072686 +/-     0.004235 GPa