Mo fcc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 4.235809236764908 Optimization terminated successfully. Current function value: -149.015553 Iterations: 69 Function evaluations: 183 C11 = 3587.515169 +/- 0.007336 GPa C12 = 2046.835307 +/- 0.005187 GPa C44 = 2051.089575 +/- 0.001834 GPa B = 2560.395261 +/- 0.004235 GPa