Dataset
UNEP-v1_2023
Download Dataset XYZ file
| Name | UNEP-v1_2023 |
|---|---|
| Extended ID | UNEP-v1_2023_SongZhaoLiuWangLindgrenWangChenXuLiangYingXuZhaoShiWangLyuZengLiangDongSunChenZhangGuoQianSunErhartAla-NissilaSuFan__DS_14h4rvviya0k_0 |
| Description | This dataset contains training data for UNEP-v1 (version 1 of Unified NeuroEvolution Potential), a model implemented in GPUMD. Included are 16 separate configuration sets for individual elemental metals, as well as their 120 unique pairs. |
| Authors |
Keke Song Rui Zhao Jiahui Liu Yanzhou Wang Eric Lindgren Yong Wang Shunda Chen Ke Xu Ting Liang Penghua Ying Nan Xu Zhiqiang Zhao Jiuyang Shi Junjie Wang Shuang Lyu Zezhu Zeng Shirong Liang Haikuan Dong Ligang Sun Yue Chen Zhuhua Zhang Wanlin Guo Ping Qian Jian Sun Paul Erhart Tapio Ala-Nissila Yanjing Su Zheyong Fan |
| DOI |
10.60732/23c88dd7
https://commons.datacite.org/doi.org/10.60732/23c88dd7 https://doi.datacite.org/dois/10.60732%2F23c88dd7 https://doi.org/10.60732/23c88dd7 Cite as: Song, K., Zhao, R., Liu, J., Wang, Y., Lindgren, E., Wang, Y., Chen, S., Xu, K., Liang, T., Ying, P., Xu, N., Zhao, Z., Shi, J., Wang, J., Lyu, S., Zeng, Z., Liang, S., Dong, H., Sun, L., Chen, Y., Zhang, Z., Guo, W., Qian, P., Sun, J., Erhart, P., Ala-Nissila, T., Su, Y., and Fan, Z. "UNEP-v1 2023." ColabFit, 2023. https://doi.org/10.60732/23c88dd7. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Elements |
Al (6.72%) Mo (5.89%) Ni (6.44%) Pt (6.28%) W (6.27%) Mg (6.08%) Cr (5.83%) Zr (6.21%) Ag (6.39%) Ta (6.29%) V (6.06%) Au (6.44%) Cu (6.31%) Pb (5.98%) Pd (6.37%) Ti (6.45%) |
| Number of Data Objects | 71,539 |
| Number of Configurations | 71,539 |
| Number of Atoms | 5,162,789 |
| Links |
https://zenodo.org/doi/10.5281/zenodo.10081676 https://doi.org/10.48550/arXiv.2311.04732 |
| Configuration Sets by Name | |
| Configuration Sets by ID | |
| Data Objects | Too many to display |
| ColabFit ID | DS_14h4rvviya0k_0 |
| Files | colabfitspec.json |
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