Mo fcc Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Mo__MO_666830945336_003 3.951922923326492 Warning: Maximum number of iterations has been exceeded. C11 = 381.289229 +/- 0.007336 GPa C12 = 251.755859 +/- 0.005187 GPa C44 = 252.977093 +/- 0.001834 GPa B = 294.933649 +/- 0.004235 GPa