Ne bcc LJ_Shifted_Bernardes_1958HighCutoff_Ne__MO_966254629593_003 3.38191294670105 Optimization terminated successfully. Current function value: -0.050517 Iterations: 73 Function evaluations: 193 C11 = 1.463969 +/- 0.007336 GPa C12 = 1.792903 +/- 0.005187 GPa C44 = 1.794912 +/- 0.001834 GPa B = 1.683258 +/- 0.004235 GPa