Ne diamond LJ_Shifted_Bernardes_1958LowCutoff_Ne__MO_466741694288_003 6.8737539202 Optimization terminated successfully. Current function value: -0.069999 Iterations: 73 Function evaluations: 194 C11 = 0.244750 +/- 0.007336 GPa C12 = 0.316857 +/- 0.005187 GPa C44 = -0.082229 +/- 0.001834 GPa B = 0.292821 +/- 0.004235 GPa