Kr diamond LJ_Shifted_Bernardes_1958HighCutoff_Kr__MO_923895531627_003 9.10107779503
Optimization terminated successfully.
         Current function value: -0.358140
         Iterations: 69
         Function evaluations: 176

C11 =     0.497121 +/-     0.007336 GPa
C12 =     0.670874 +/-     0.005187 GPa
C44 =    -0.195934 +/-     0.001834 GPa
B   =     0.612956 +/-     0.004235 GPa