Dataset
UNEP_v1_2023_test
Species content of dataset
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| Name | UNEP_v1_2023_test |
|---|---|
| Extended ID | UNEP_v1_2023_test__Song-Zhao-Liu-Wang-Lindgren-Wang-Chen-Xu-Liang-Ying-Xu-Zhao-Shi-Wang-Lyu-Zeng-Liang-Dong-Sun-Chen-Zhang-Guo-Qian-Sun-Erhart-Ala-Nissila-Su-Fan__DS_jyklsju4h580_0 |
| Description | The test set for UNEP-v1 (version 1 of Unified NeuroEvolution Potential), a model implemented in GPUMD. |
| 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/b459b5f2
https://commons.datacite.org/doi.org/10.60732/b459b5f2 https://doi.datacite.org/dois/10.60732%2Fb459b5f2 https://doi.org/10.60732/b459b5f2 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 test." ColabFit, 2023. https://doi.org/10.60732/b459b5f2. For other citation formats, see the DataCite Fabrica page for this dataset. |
| Calculated Property Types |
atomic_forces cauchy_stress energy |
| Elements |
Ag (0.95%)
Al (7.91%) Au (3.86%) Cr (2.73%) Cu (18.18%) Mg (0.87%) Mo (7.91%) Ni (7.21%) Pb (0.03%) Pd (7.3%) Pt (4.36%) Ta (8.61%) Ti (6.54%) V (8.16%) W (7.36%) Zr (8.04%) |
| Number of Configurations | 4,411 |
| Number of Atoms | 318,910 |
| Publication Link | https://doi.org/10.48550/arXiv.2311.04732 |
| Data Source Link | https://zenodo.org/doi/10.5281/zenodo.10081676 |
| Configuration Sets by Name | |
| Configuration Sets by ID | |
| ColabFit ID | DS_jyklsju4h580_0 |
| Downloads | 18 |
| Files | colabfitspec.json |
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