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README.md

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----
-configs:
-- config_name: default
-  data_files: "main/*.parquet"
-license: cc-by-4.0
-tags:
-- molecular dynamics
-- mlip
-- interatomic potential
-pretty_name: HME21 test
----
-# Dataset  
-HME21 test  
-### Description  
-The test set from HME21. The  high-temperature multi-element 2021 (HME21) dataset comprises approximately 25,000 configurations, including 37 elements, used in the training of a universal NNP called PreFerential Potential (PFP). The dataset specifically contains disordered and unstable structures, and structures that include irregular substitutions, as well as varied temperature and density.   
-<br>Additional details stored in dataset columns prepended with "dataset_".  
-### Dataset authors  
-So Takamoto, Chikashi Shinagawa, Daisuke Motoki, Kosuke Nakago, Wenwen Li, Iori Kurata, Taku Watanabe, Yoshihiro Yayama, Hiroki Iriguchi, Yusuke Asano, Tasuku Onodera, Takafumi Ishii, Takao Kudo, Hideki Ono, Ryohto Sawada, Ryuichiro Ishitani, Marc Ong, Taiki Yamaguchi, Toshiki Kataoka, Akihide Hayashi, Nontawat Charoenphakdee, Takeshi Ibuka  
-### Publication  
-https://doi.org/10.1038/s41467-022-30687-9  
-### Original data link 
-https://doi.org/10.6084/m9.figshare.19658538.v2  
-### License  
-CC-BY-4.0  
-### Number of unique molecular configurations  
-2495  
-### Number of atoms  
-69572  
-### Elements included  
-Ba, Ca, Co, Cr, In, Ir, Mo, Na, Ni, Pb, Rh, Sc, Ti, V, Ag, Cu, F, Mg, Mn, N, Pt, Ru, S, Sn, C, O, Al, Au, H, K, Pd, Si, Zn, Fe, P, Cl, Li  
-### Properties included  
-energy, atomic forces, cauchy stress  
-### Cite this dataset
-Takamoto, S., Shinagawa, C., Motoki, D., Nakago, K., Li, W., Kurata, I., Watanabe, T., Yayama, Y., Iriguchi, H., Asano, Y., Onodera, T., Ishii, T., Kudo, T., Ono, H., Sawada, R., Ishitani, R., Ong, M., Yamaguchi, T., Kataoka, T., Hayashi, A., Charoenphakdee, N., and Ibuka, T. _HME21 test_. ColabFit, 2023. https://doi.org/10.60732/bddeac8f