Ca fcc Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ca__MO_159753408472_003 5.559938663989308 Warning: Maximum number of iterations has been exceeded. C11 = 20.885114 +/- 0.007336 GPa C12 = 15.101085 +/- 0.005187 GPa C44 = 15.280467 +/- 0.001834 GPa B = 17.029095 +/- 0.004235 GPa