Ti fcc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 4.400844015181065 Optimization terminated successfully. Current function value: -39.302550 Iterations: 72 Function evaluations: 190 C11 = 843.692742 +/- 0.007336 GPa C12 = 481.363845 +/- 0.005187 GPa C44 = 482.364339 +/- 0.001834 GPa B = 602.140144 +/- 0.004235 GPa