Xe fcc LJ_Shifted_Bernardes_1958LowCutoff_Xe__MO_648694198005_003 6.164724573493004 Optimization terminated successfully. Current function value: -0.617011 Iterations: 88 Function evaluations: 236 C11 = 5.006603 +/- 0.007336 GPa C12 = 2.842362 +/- 0.005187 GPa C44 = 2.847644 +/- 0.001834 GPa B = 3.563776 +/- 0.004235 GPa