fix geometry to match module and cleanup and fit a CeO2 #409
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The following actions use a deprecated Node.js version and will be forced to run on node20: actions/checkout@v3, actions/setup-python@v4. For more info: https://github.blog/changelog/2024-03-07-github-actions-all-actions-will-run-on-node20-instead-of-node16-by-default/
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