Ne diamond LJ_Shifted_Bernardes_1958HighCutoff_Ne__MO_966254629593_003 6.832042050361641
Optimization terminated successfully.
         Current function value: -0.079304
         Iterations: 92
         Function evaluations: 249

C11 =     0.260209 +/-     0.007336 GPa
C12 =     0.351157 +/-     0.005187 GPa
C44 =    -0.102965 +/-     0.001834 GPa
B   =     0.320841 +/-     0.004235 GPa