Ar fcc LJ_Shifted_Bernardes_1958MedCutoff_Ar__MO_126566794224_004 5.248509056866169 Optimization terminated successfully. Current function value: -0.346022 Iterations: 76 Function evaluations: 198 C11 = 4.382647 +/- 0.007336 GPa C12 = 2.500493 +/- 0.005187 GPa C44 = 2.505690 +/- 0.001834 GPa B = 3.127878 +/- 0.004235 GPa