Xe fcc LJ_Shifted_Bernardes_1958MedCutoff_Xe__MO_849320763277_003 6.1438429802656245
Optimization terminated successfully.
         Current function value: -0.665898
         Iterations: 72
         Function evaluations: 189

C11 =     5.254370 +/-     0.007336 GPa
C12 =     2.997849 +/-     0.005187 GPa
C44 =     3.004080 +/-     0.001834 GPa
B   =     3.750023 +/-     0.004235 GPa