B fcc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 2.337948366999626 Optimization terminated successfully. Current function value: -98.800991 Iterations: 92 Function evaluations: 245 C11 = 14145.820732 +/- 0.007336 GPa C12 = 8070.813365 +/- 0.005187 GPa C44 = 8087.588048 +/- 0.001834 GPa B = 10095.815820 +/- 0.004235 GPa