This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.
- vasp.zip: A zipped folder with the VASP INCAR files used for training the MLIP and re-evaluating the stable structures from the evolutionary search
- uspex.zip: A zipped folder with the USPEX input files used for evolutionary search for stable structures in the 2D Mo-S/Al2O3 system
- mlip.zip: A zipped folder with the trained MTP potential and the training dataset with 3 different classes of systems used for training the MLIP within the ASCT approach.
- lammps.zip: A zipped folder with the input files for the LAMMPS code, that were used for local relaxation of 2D Mo-S structures during the evolutionary search
- notebooks.zip: A zipped folder with Jupyter Notebooks and raw calculations data used for making the raw figures in the original paper
- structures.zip: A zipped folder containing the results of the evolutionary search stored as a list of files in the extended XYZ format.
- README.md: A README file containing a description of the data record