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

• README.txt: README file supplying a detailed description of all files in this record
• NiOOH.zip: Relaxed geometries (in .xyz format) for all NiOOH structures
• FeOOH.zip: Relaxed geometries (in .xyz format) for all FeOOH structures
• joint_NiOOH_FeOOH.zip: Relaxed geometries (in .xyz format) for all joint NiOOH/FeOOH structures
• input.inp: CP2K input file showing all relevant simulation settings
• CHE.py: Python script which calculates all free energy steps