Ba fcc Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ba__MO_229241184339_003 6.3450917363166806 Warning: Maximum number of iterations has been exceeded. C11 = 11.847992 +/- 0.007336 GPa C12 = 8.608721 +/- 0.005187 GPa C44 = 8.732330 +/- 0.001834 GPa B = 9.688478 +/- 0.004235 GPa