Dataset

Si-H-GAP-validation



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Name Si-H-GAP-validation
Extended ID Si-H-GAP-validation_UnruhMeidanshahiGoodnickCsanyiZimanyi__DS_szmo638f3l7c_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
Elements H (9.57%)
Si (90.43%)
Number of Data Objects 150
Number of Configurations 150
Number of Atoms 23,000
Links https://github.com/dgunruh/Si-H-GAP
https://doi.org/10.1103/PhysRevMaterials.6.065603
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_szmo638f3l7c_0
Files colabfitspec.json

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