Kr fcc LJ_Shifted_Bernardes_1958HighCutoff_Kr__MO_923895531627_003 5.62977388501
Warning: Maximum number of function evaluations has been exceeded.

C11 =     4.823073 +/-     0.007336 GPa
C12 =     2.757130 +/-     0.005187 GPa
C44 =     2.763004 +/-     0.001834 GPa
B   =     3.445778 +/-     0.004235 GPa