Add energy to dataset #24
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In this PR, I add the
energyto the datasets read from LAMMPS.I also resolve an issue around the flattening of
positionin the pandas dataframe written to parquet. The issue is described here https://www.notion.so/Position-flattening-issue-4f067dbaf8964c04b937059fee98d241.I augment the tests by writing fake data to disk, processing it, and confirming that the processed output available in the datasets is what it should be given we know the input fake data. This immediately flags issues with flattening / unflattening and so should prevent a future regression.