Ne sc LJ_Shifted_Bernardes_1958MedCutoff_Ne__MO_160637895352_004 2.92886383831501
Warning: Maximum number of iterations has been exceeded.

C11 =     3.015840 +/-     0.007336 GPa
C12 =    -0.185412 +/-     0.005187 GPa
C44 =    -0.185411 +/-     0.001834 GPa
B   =     0.881672 +/-     0.004235 GPa