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

  • all_minima_xyz_structures.tar.gz: Structure coordinates of all minima found by the minima hopping method for all neutral and charged clusters, that are 43606 different structures.
  • all_minima_names.npy: A python dictionary which stores all minima names.
  • all_minima_data.npy: A python dictionary which stores all structural and electronic properties calculated for all minima.
  • all_minima_data_analysis.ipynb: A jupyter notebook which helps the reading of the all_minima_names.npy and all_minima_data.npy python dictionaries.