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

  • README.txt: README file explaining the contents of all others.
  • Ground_state_spin_dataset_chemiscope.json.gz: Ground state spin dataset.
  • property_2032.txt: Properties of the 2032 structures in the ground state spin dataset.
  • refcode_2032.txt: Crystallographic CSD refcodes of the 2032 structures in the ground state spin dataset.
  • Ground_state_spin_dataset.tar.gz: XYZ files for the 2032 structures in the ground state spin dataset.
  • Supplementary_dataset.tar.gz: XYZ files for the 1850 structures in the ground state spin dataset.
  • refcode_1850.txt: Crystallographic CSD refcodes of the 1850 structures in the ground state spin dataset.