Kr diamond LJ_Shifted_Bernardes_1958LowCutoff_Kr__MO_995724792024_004 9.156642958521843
Optimization terminated successfully.
         Current function value: -0.316114
         Iterations: 70
         Function evaluations: 185

C11 =     0.467586 +/-     0.007336 GPa
C12 =     0.605344 +/-     0.005187 GPa
C44 =    -0.157115 +/-     0.001834 GPa
B   =     0.559425 +/-     0.004235 GPa