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Name Si-H-GAP_reference
Extended ID Si-H-GAP_reference_UnruhMeidanshahiGoodnickCsanyiZimanyi__DS_a3v4bu6mts6b_0
Description A reference set of configurations of hydrogenated liquid and amorphous silicon from the datasets for Si-H-GAP. These configurations were used to evaluate training on a GAP model.
Authors Davis Unruh
Reza Vatan Meidanshahi
Stephen M. Goodnick
Gábor Csányi
Gergely T. Zimányi
DOI 10.60732/54bc0a93

Cite as: Unruh, D., Meidanshahi, R. V., Goodnick, S. M., Csányi, G., and Zimányi, G. T. "Si-H-GAP reference." ColabFit, 2023.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements H (6.62%)
Si (93.38%)
Number of Data Objects 114
Number of Configurations 114
Number of Atoms 24,895
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_a3v4bu6mts6b_0
Files colabfitspec.json

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