Ar diamond LJ_Shifted_Bernardes_1958LowCutoff_Ar__MO_720819638419_004 8.529475674033165 Optimization terminated successfully. Current function value: -0.234816 Iterations: 74 Function evaluations: 193 C11 = 0.429743 +/- 0.007336 GPa C12 = 0.556352 +/- 0.005187 GPa C44 = -0.144393 +/- 0.001834 GPa B = 0.514149 +/- 0.004235 GPa