This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• DFT_training_data.zip: DFT results used to train the cluster expansion model. Structures are in POSCAR format, and energies are in OSZICAR. VASP input parameters are provided in a python script "setmag_runvasp_NiCr.py".
• cluster_expansion_results.zip: cluster expansion input and results
• KMC_final_structure_analysis.zip: composition analysis of the final KMC structure (input structures, PYTHON scripts and output)