Xe diamond LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 6.226496040821075
Warning: Maximum number of iterations has been exceeded.

C11 =     2.630716 +/-     0.007336 GPa
C12 =     3.522333 +/-     0.005187 GPa
C44 =    -1.009769 +/-     0.001834 GPa
B   =     3.225128 +/-     0.004235 GPa