Ne fcc LJ_Shifted_Bernardes_1958LowCutoff_Ne__MO_466741694288_003 4.2440566197 Optimization terminated successfully. Current function value: -0.095657 Iterations: 75 Function evaluations: 193 C11 = 2.378331 +/- 0.007336 GPa C12 = 1.350233 +/- 0.005187 GPa C44 = 1.352742 +/- 0.001834 GPa B = 1.692932 +/- 0.004235 GPa