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Name Si-H-GAP_training
Extended ID Si-H-GAP_training_UnruhMeidanshahiGoodnickCsanyiZimanyi__DS_8arvjtldu4fw_0
Description A set of training configurations of hydrogenated liquid and amorphous silicon from the datasets for Si-H-GAP. Includes virial sigmas used for configurations used in the corresponding publication (virial-sigma-paper) as well as an alternate configuration defined by doubled virial sigma prefactors (from 0.025 to 0.05).
Authors Davis Unruh
Reza Vatan Meidanshahi
Stephen M. Goodnick
Gábor Csányi
Gergely T. Zimányi
DOI 10.60732/43a0cef7

Cite as: Unruh, D., Meidanshahi, R. V., Goodnick, S. M., Csányi, G., and Zimányi, G. T. "Si-H-GAP training." ColabFit, 2023.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements H (7.8%)
Si (92.2%)
Number of Data Objects 392
Number of Configurations 392
Number of Atoms 65,909
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_8arvjtldu4fw_0
Files colabfitspec.json

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