This repository contains various scripts/notebooks we used to create our paper. Please note that the exact text and formatting of the figures in this repository are not likely to be exactly as they appear in the paper, because there were revisions during the editing process.
We have also included two JSON files that contain our CO and H data, along with
a Jupyter notebook (read_data.ipynb) that shows you how we turn the JSON
items into ase.Atoms objects.