Dataset
C_Gardner_2022
Download Dataset XYZ file
| Name | C_Gardner_2022 |
|---|---|
| Extended ID | C_Gardner_2022_GardnerBeaulieuDeringer__DS_m9sb1m98e5jw_0 |
| Description | 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. |
| Authors |
John L. A. Gardner Zoé Faure Beaulieu Volker L. Deringer |
| Elements |
C (100.0%) |
| Number of Data Objects | 115,206 |
| Number of Configurations | 115,206 |
| Number of Atoms | 23,041,200 |
| Links |
https://github.com/jla-gardner/carbon-data https://doi.org/10.48550/arXiv.2211.16443 |
| Configuration Sets by Name | |
| Configuration Sets by ID | |
| Data Objects | Too many to display |
| ColabFit ID | DS_m9sb1m98e5jw_0 |
| Files | colabfitspec.json |
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