Both Python scripts generate a directory for each sampled chemical composition. Within each directory for a chemical composition, multiple sub-directories have been created, one per atomic configuration. For each sub-directory associated with an atomic configuration, a randomized atomic structure that mixes atoms of different constituents is generated by randomly shuffling an initial atomic structure provided in a POSCAR file using the function 'numpy.random.shuffle()'. Once the execution of these python scripts is completed, each sub-directory associated with an atomic structure contains only the following files needed to start the VASP6 calculations: INCAR, POTCAR, POSCAR, KPOINTS. The file INCAR contains various parameters and settings for controlling the behavior of the electronic structure calculations, the file POTCAR contains information about the pseudopotential, the file POSCAR contains the information about the initial atomic structure before geometry optimization is performed, and the file KPOINTS contains the information about the quadrature points that need to be used for numerical integration in the complex plane.