The datasets NbTa_BCC_SolidSolution_128atoms_VASP6, NbV_BCC_SolidSolution_128atoms_VASP6, and TaV_BCC_SolidSolution_128atoms_VASP6 contain each 31 directories associated with different chemical compositions, and each directory associated with a chemical composition contains 100 sub-directories, one per atomic configuration. This amounts to a total of 3,100 sub-directories. The sub-directories with name "case-N", where N ranges between 1 and 10 (extremes included) contain all the files listed in Section except vaspout.h5. Sub-directories with name "case-N", where N ranges between 41 and 60 (extremes included), contain a duplicate copy of the files listed above except for KPOINTS. The names of the duplicate files end with "-bis", and correspond to a second VASP calculation that has converged to a different optimized geometry.