S bcc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 2.311444848775864 Optimization terminated successfully. Current function value: -69.558210 Iterations: 91 Function evaluations: 246 C11 = 6401.414646 +/- 0.007336 GPa C12 = 7815.806978 +/- 0.005187 GPa C44 = 7824.425119 +/- 0.001834 GPa B = 7344.342867 +/- 0.004235 GPa