Ar sc LJ_Shifted_Bernardes_1958MedCutoff_Ar__MO_126566794224_003 3.63435658813 Optimization terminated successfully. Current function value: -0.056900 Iterations: 71 Function evaluations: 186 C11 = 5.295353 +/- 0.007336 GPa C12 = -0.325555 +/- 0.005187 GPa C44 = -0.325553 +/- 0.001834 GPa B = 1.548081 +/- 0.004235 GPa