Ar fcc LJ_Shifted_Bernardes_1958LowCutoff_Ar__MO_720819638419_004 5.266347639262676 Optimization terminated successfully. Current function value: -0.320890 Iterations: 78 Function evaluations: 202 C11 = 4.175985 +/- 0.007336 GPa C12 = 2.370801 +/- 0.005187 GPa C44 = 2.375207 +/- 0.001834 GPa B = 2.972529 +/- 0.004235 GPa