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