Research data for " Signatures of paracrystallinity in amorphous silicon from machine-learning-driven molecular dynamics"
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下载链接：
https://zenodo.org/record/14203729
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资源简介：
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.
创建时间：
2025-04-12
