Dataset
NDSC_TUT_2022
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| Name | NDSC_TUT_2022 |
|---|---|
| Extended ID | NDSC_TUT_2022__Allen-Bartok__DS_oqqwzogut1on_0 |
| Description | 500 configurations of Mg2 for MD prediction using a model fitted on Al, W, Mg and Si. |
| Authors |
Connor Allen Albert P. Bartok |
| DOI |
10.60732/965983d1
https://commons.datacite.org/doi.org/10.60732/965983d1 https://doi.datacite.org/dois/10.60732%2F965983d1 https://doi.org/10.60732/965983d1 Cite as: Allen, C., and Bartok, A. P. "NDSC TUT 2022." ColabFit, 2023. https://doi.org/10.60732/965983d1. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Calculated Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Mg (100.0%) |
| Number of Configurations | 500 |
| Number of Atoms | 1,000 |
| Links |
https://github.com/ConnorSA/ndsc_tut https://doi.org/10.48550/arXiv.2207.11828 |
| Configuration Sets by Name | (None) |
| Configuration Sets by ID | (None) |
| Calculated Properties | |
| ColabFit ID | DS_oqqwzogut1on_0 |
| Files | colabfitspec.json |
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