10.60732/9903bf08

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SIMPLE_NN_SiO2 Dataset

Kyuhyun Lee, Dongsun Yoo, Wonseok Jeong, Seungwu Han,
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.

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