Ne sc LJ_Shifted_Bernardes_1958LowCutoff_Ne__MO_466741694288_003 2.93608650565
Warning: Maximum number of function evaluations has been exceeded.

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