Ir bcc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 3.103930316865444
Warning: Maximum number of iterations has been exceeded.

C11 =  2240.372944 +/-     0.007336 GPa
C12 =  2735.383183 +/-     0.005187 GPa
C44 =  2738.399344 +/-     0.001834 GPa
B   =  2570.379770 +/-     0.004235 GPa