Ne diamond LJ_Shifted_Bernardes_1958LowCutoff_Ne__MO_466741694288_004 6.873753920197487
Warning: Maximum number of iterations has been exceeded.

C11 =     0.244750 +/-     0.007336 GPa
C12 =     0.316857 +/-     0.005187 GPa
C44 =    -0.082229 +/-     0.001834 GPa
B   =     0.292821 +/-     0.004235 GPa