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Name NEP_qHPF_train
Extended ID NEP_qHPF_train_Ying__DS_umliq1qh50gy_0
Description The train set of a train and test set pair.The combined datasets comprise approximately 275 configurations of monolayer quasi-hexagonal-phase fullerene (qHPF) membrane used to train and test an NEP model.
Authors Penghua Ying
DOI 10.60732/906d79f3

Cite as: Ying, P. "NEP qHPF train." ColabFit, 2023.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements C (100.0%)
Number of Data Objects 238
Number of Configurations 238
Number of Atoms 28,560
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_umliq1qh50gy_0
Files colabfitspec.json

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