Fe bcc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 2.905808947980404 Optimization terminated successfully. Current function value: -18.855817 Iterations: 74 Function evaluations: 196 C11 = 873.418373 +/- 0.007336 GPa C12 = 1066.400089 +/- 0.005187 GPa C44 = 1067.575948 +/- 0.001834 GPa B = 1002.072850 +/- 0.004235 GPa