Kr bcc LJ_Shifted_Bernardes_1958MedCutoff_Kr__MO_984281096460_003 4.5094974041 Optimization terminated successfully. Current function value: -0.222716 Iterations: 70 Function evaluations: 181 C11 = 2.762240 +/- 0.007336 GPa C12 = 3.372556 +/- 0.005187 GPa C44 = 3.376275 +/- 0.001834 GPa B = 3.169117 +/- 0.004235 GPa