Kr fcc LJ_Shifted_Bernardes_1958MedCutoff_Kr__MO_984281096460_004 5.634428912401205
Optimization terminated successfully.
         Current function value: -0.465827
         Iterations: 81
         Function evaluations: 216

C11 =     4.768581 +/-     0.007336 GPa
C12 =     2.720686 +/-     0.005187 GPa
C44 =     2.726340 +/-     0.001834 GPa
B   =     3.403318 +/-     0.004235 GPa