Dataset

UNEP_v1_2023_train



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Name UNEP_v1_2023_train
Extended ID UNEP-v1_2023__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_14h4rvviya0k_0
Description The training 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 10.60732/23c88dd7
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 train." ColabFit, 2023. https://doi.org/10.60732/23c88dd7.
For other citation formats, see the DataCite Fabrica page for this dataset.
Property Types atomic_forces
cauchy_stress
energy
Elements Ag (6.45%)
Al (7.1%)
Au (6.28%)
Cr (5.99%)
Cu (6.37%)
Mg (5.9%)
Mo (5.52%)
Ni (6.11%)
Pb (5.9%)
Pd (6.16%)
Pt (6.14%)
Ta (6.2%)
Ti (6.74%)
V (6.06%)
W (6.38%)
Zr (6.71%)
Number of Property Objects 104,959
Number of Configurations 104,799
Number of Atoms 6,840,534
Links https://zenodo.org/doi/10.5281/zenodo.10081676
https://doi.org/10.48550/arXiv.2311.04732
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Property Objects Too many to display
ColabFit ID DS_14h4rvviya0k_0
Files colabfitspec.json

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