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Name Si-H-GAP-training
Extended ID Si-H-GAP-training_UnruhMeidanshahiGoodnickCsanyiZimanyi__DS_jp7xwcv8bala_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
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_jp7xwcv8bala_0
Files colabfitspec.json

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