This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.
- structuresperturbed.tar.gz: XYZ files of perturbed clusters
- structuresunperturbed.tar.gz: XYZ files of unperturbed clusters
- 1-CDDRFs_train.tar.gz: 1C DDRF training data.
- descriptors_Si_train.tar.gz: descriptors for Silicon atoms. First N_{Si} rows of the matrix saved in the files are the descriptors used for Si atoms.
- descriptors_H_train.tar.gz: descriptors for hydrogen atoms. last N_{H} rows of the matrices saved in the files are the descriptors used for Hydrogen atoms.
- inputsperturbed.tar.gz: input files for perturbed clusters
- inputsunperturbed.tar.gz: input files for unperturbed clusters
- QPDATA.tar.gz: quasiparticle data
- pseudo.tar.gz: pseudopotentials
- README.txt: Data description