Dataset

SIMPLE_NN_SiO2



Download Dataset XYZ file

Name SIMPLE_NN_SiO2
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
Elements O (66.67%)
Si (33.33%)
Number of Data Objects 10,000
Number of Configurations 10,000
Number of Atoms 600,000
Links https://doi.org/10.1016/j.cpc.2019.04.014
https://doi.org/10.17632/pjv2yr7pvr.1
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects Too many to display
ColabFit ID DS_w2ngtxl0ep5d_0
Files colabfitspec.json

No uploaded content is transferred in ownership from the original creators to ColabFit. All content is distributed under the license specified by its contributor who has stated that he or she has the authority to share it under the specified license.