Mo diamond LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 6.84914064407 Optimization terminated successfully. Current function value: -111.233948 Iterations: 76 Function evaluations: 199 C11 = -6163152.376827 +/- 0.007336 GPa C12 = 331.452999 +/- 0.005187 GPa C44 = -2311161.511685 +/- 0.001834 GPa B = -2054163.156943 +/- 0.004235 GPa