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README.md
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---
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configs:
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- config_name: default
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data_files: "main/*.parquet"
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license: cc-by-4.0
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tags:
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- molecular dynamics
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- mlip
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- interatomic potential
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pretty_name: C Gardner 2022
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---
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### Cite this dataset
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Gardner, J. L. A., Beaulieu, Z. F., and Deringer, V. L. _C Gardner 2022_. ColabFit, 2023. https://doi.org/10.60732/8ecd90ee
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### View on the ColabFit Exchange
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https://materials.colabfit.org/id/DS_mma0w04wa4cs_0
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# Dataset Name
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C Gardner 2022
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### Description
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Approximately 115,000 configurations of carbon with 200 atoms, with simulated melt, quench, reheat, then annealing at the noted temperature. Includes a variety of carbon structures.
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<br>Additional details stored in dataset columns prepended with "dataset_".
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### Dataset authors
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John L. A. Gardner, Zoé Faure Beaulieu, Volker L. Deringer
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### Publication
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https://doi.org/10.48550/arXiv.2211.16443
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### Original data link
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https://github.com/jla-gardner/carbon-data
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### License
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CC-BY-4.0
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### Number of unique molecular configurations
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115206
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### Number of atoms
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23041200
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### Elements included
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C
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### Properties included
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atomic forces, cauchy stress
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