Ar fcc LJ_Shifted_Bernardes_1958HighCutoff_Ar__MO_242741380554_003 5.24417295455933 Optimization terminated successfully. Current function value: -0.354399 Iterations: 72 Function evaluations: 187 C11 = 4.432726 +/- 0.007336 GPa C12 = 2.533987 +/- 0.005187 GPa C44 = 2.539385 +/- 0.001834 GPa B = 3.166900 +/- 0.004235 GPa