Ca sc Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ca__MO_159753408472_002 3.644567355513573
Warning: Maximum number of iterations has been exceeded.

C11 =    49.608589 +/-     0.007336 GPa
C12 =    -6.435465 +/-     0.005187 GPa
C44 =    -6.435323 +/-     0.001834 GPa
B   =    12.245886 +/-     0.004235 GPa