Ar sc LJ_Shifted_Bernardes_1958HighCutoff_Ar__MO_242741380554_003 3.62979272753 Optimization terminated successfully. Current function value: -0.058471 Iterations: 72 Function evaluations: 191 C11 = 5.379285 +/- 0.007336 GPa C12 = -0.339140 +/- 0.005187 GPa C44 = -0.342306 +/- 0.001834 GPa B = 1.567002 +/- 0.004235 GPa