Xe bcc LJ_Shifted_Bernardes_1958LowCutoff_Xe__MO_648694198005_003 4.93349846452 Optimization terminated successfully. Current function value: -0.293693 Iterations: 70 Function evaluations: 187 C11 = 2.929003 +/- 0.007336 GPa C12 = 3.519625 +/- 0.005187 GPa C44 = 3.523295 +/- 0.001834 GPa B = 3.322751 +/- 0.004235 GPa