Ar fcc LJ_Shifted_Bernardes_1958LowCutoff_Ar__MO_720819638419_003 5.26634763926 Optimization terminated successfully. Current function value: -0.320890 Iterations: 70 Function evaluations: 181 C11 = 4.175985 +/- 0.007336 GPa C12 = 2.370802 +/- 0.005187 GPa C44 = 2.375207 +/- 0.001834 GPa B = 2.972530 +/- 0.004235 GPa