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Extended ID SIMPLE_NN_SiO2_LeeYooJeongHan__DS_w2ngtxl0ep5d_0
Description 10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
Authors Kyuhyun Lee
Dongsun Yoo
Wonseok Jeong
Seungwu Han
DOI 10.60732/9903bf08

Cite as: Lee, K., Yoo, D., Jeong, W., and Han, S. "SIMPLE NN SiO2." ColabFit, 2023.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements O (66.67%)
Si (33.33%)
Number of Data Objects 10,000
Number of Configurations 10,000
Number of Atoms 600,000
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects Too many to display
ColabFit ID DS_w2ngtxl0ep5d_0
Files colabfitspec.json

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