Download Dataset XYZ file

Name NEP_qHPF_test
Extended ID NEP_qHPF_test_Ying__DS_mc8p14cpn2ea_0
Description The test 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/f1e6e9fa

Cite as: Ying, P. "NEP qHPF test." ColabFit, 2023.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements C (100.0%)
Number of Data Objects 39
Number of Configurations 39
Number of Atoms 4,680
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_mc8p14cpn2ea_0
Files colabfitspec.json

No uploaded content is transferred in ownership from the original creators to ColabFit. All content is distributed under the license specified by its contributor who has stated that he or she has the authority to share it under the specified license.