Kr diamond LJ_Shifted_Bernardes_1958MedCutoff_Kr__MO_984281096460_004 9.110654918849466
Optimization terminated successfully.
         Current function value: -0.347659
         Iterations: 79
         Function evaluations: 212

C11 =     0.492158 +/-     0.007336 GPa
C12 =     0.658963 +/-     0.005187 GPa
C44 =    -0.188904 +/-     0.001834 GPa
B   =     0.603361 +/-     0.004235 GPa