Ba sc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 4.093481823801994
Warning: Maximum number of iterations has been exceeded.

C11 =   632.222726 +/-     0.007336 GPa
C12 =   -73.658475 +/-     0.005187 GPa
C44 =   -64.828171 +/-     0.001834 GPa
B   =   161.635259 +/-     0.004235 GPa