Ar bcc LJ_Shifted_Bernardes_1958LowCutoff_Ar__MO_720819638419_004 4.214546427130699 Optimization terminated successfully. Current function value: -0.152743 Iterations: 72 Function evaluations: 188 C11 = 2.443068 +/- 0.007336 GPa C12 = 2.935703 +/- 0.005187 GPa C44 = 2.938765 +/- 0.001834 GPa B = 2.771492 +/- 0.004235 GPa