Ar sc LJ_Shifted_Bernardes_1958LowCutoff_Ar__MO_720819638419_003 3.6433190181851387 Optimization terminated successfully. Current function value: -0.052136 Iterations: 1064 Function evaluations: 3167 C11 = 5.079529 +/- 0.007336 GPa C12 = -0.301922 +/- 0.005187 GPa C44 = -0.301920 +/- 0.001834 GPa B = 1.491895 +/- 0.004235 GPa