Xe fcc LJ_Shifted_Bernardes_1958MedCutoff_Xe__MO_849320763277_003 6.14384300262 Optimization terminated successfully. Current function value: -0.665898 Iterations: 72 Function evaluations: 184 C11 = 5.254369 +/- 0.007336 GPa C12 = 2.997849 +/- 0.005187 GPa C44 = 3.004080 +/- 0.001834 GPa B = 3.750022 +/- 0.004235 GPa