Research data for " Signatures of paracrystallinity in amorphous silicon from machine-learning-driven molecular dynamics"

This dataset supports the paper "Signatures of paracrystallinity in amorphous silicon from machine-learning-driven molecular dynamics".

The following files are provided:

• The structure files of the 3,069 a-Si structures contained in our dataset., in .xyz format.
• The pickled dataframe with the above-mentioned structures as ase.Atoms objects, and additional relevant information from our analysis.
• The scripts used to generate the pickled dataframe, and to analyze our dataset.
• The digitized experimental data used for comparison.