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Name Si-H-GAP_validation
Extended ID Si-H-GAP_validation_UnruhMeidanshahiGoodnickCsanyiZimanyi__DS_vywqeohskg2j_0
Description A set of validation configurations of hydrogenated liquid and amorphous silicon from the datasets for Si-H-GAP. These configurations served to augment the reference set as a final benchmark for NEP model performance.
Authors Davis Unruh
Reza Vatan Meidanshahi
Stephen M. Goodnick
Gábor Csányi
Gergely T. Zimányi
DOI 10.60732/d2f86b68

Cite as: Unruh, D., Meidanshahi, R. V., Goodnick, S. M., Csányi, G., and Zimányi, G. T. "Si-H-GAP validation." ColabFit, 2023.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements H (9.57%)
Si (90.43%)
Number of Data Objects 150
Number of Configurations 150
Number of Atoms 23,000
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_vywqeohskg2j_0
Files colabfitspec.json

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