Ne diamond LJ_Shifted_Bernardes_1958MedCutoff_Ne__MO_160637895352_003 6.8392312824726105
Optimization terminated successfully.
         Current function value: -0.076997
         Iterations: 72
         Function evaluations: 186

C11 =     0.257611 +/-     0.007336 GPa
C12 =     0.344923 +/-     0.005187 GPa
C44 =    -0.098854 +/-     0.001834 GPa
B   =     0.315819 +/-     0.004235 GPa