Kr fcc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 3.190614968538285 Optimization terminated successfully. Current function value: -0.577003 Iterations: 77 Function evaluations: 204 C11 = 32.503206 +/- 0.007336 GPa C12 = 18.544510 +/- 0.005187 GPa C44 = 18.583053 +/- 0.001834 GPa B = 23.197408 +/- 0.004235 GPa