Kr sc LJ_Shifted_Bernardes_1958MedCutoff_Kr__MO_984281096460_004 3.9015886932611465
Warning: Maximum number of iterations has been exceeded.

C11 =     5.761662 +/-     0.007336 GPa
C12 =    -0.354223 +/-     0.005187 GPa
C44 =    -0.354221 +/-     0.001834 GPa
B   =     1.684405 +/-     0.004235 GPa