At bcc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 3.302064068615437 Warning: Maximum number of iterations has been exceeded. C11 = 696.224926 +/- 0.007336 GPa C12 = 850.055789 +/- 0.005187 GPa C44 = 850.993105 +/- 0.001834 GPa B = 798.778835 +/- 0.004235 GPa