Kr bcc LJ_Shifted_Bernardes_1958HighCutoff_Kr__MO_923895531627_003 4.50510298461
Warning: Maximum number of function evaluations has been exceeded.

C11 =     2.796864 +/-     0.007336 GPa
C12 =     3.425281 +/-     0.005187 GPa
C44 =     3.429119 +/-     0.001834 GPa
B   =     3.215809 +/-     0.004235 GPa