Ne sc LJ_Shifted_Bernardes_1958LowCutoff_Ne__MO_466741694288_003 2.936086505651474
Optimization terminated successfully.
         Current function value: -0.015542
         Iterations: 73
         Function evaluations: 193

C11 =     2.892923 +/-     0.007336 GPa
C12 =    -0.171952 +/-     0.005187 GPa
C44 =    -0.171951 +/-     0.001834 GPa
B   =     0.849673 +/-     0.004235 GPa