Ar bcc LJ_Shifted_Bernardes_1958HighCutoff_Ar__MO_242741380554_003 4.19653433561 Optimization terminated successfully. Current function value: -0.169489 Iterations: 70 Function evaluations: 184 C11 = 2.570505 +/- 0.007336 GPa C12 = 3.148063 +/- 0.005187 GPa C44 = 3.151590 +/- 0.001834 GPa B = 2.955544 +/- 0.004235 GPa