High-N alloys dataset

This dataset contains multiple files of both DFT calculations using the VASP package and CE-MC simulations using the CLAMM package: DFT_raw_data: DFT dataset for high-N alloys generated using VASP. compiled_DFT_data: A compiled DFT data file generated using CLAMM_Preprocess. This file can be used as an input data file for constructing the CE model. CE_fitting: Trained CE models generated using CLAMM_Fit. MC_simulation: The output from MC simulations using CLAMM_MC.