colabfit/SIMPLE_NN_SiO2

SIMPLE NN SiO2数据集包含10,000个SiO2配置，用于SIMPLE-NN机器学习模型的训练示例。该数据集涵盖了三种晶体形态：石英、方石英和鳞石英，还包括非晶态和液态SiO2。此外，数据集中还包括了在压缩、单轴应变和剪切应变下的结构变形。数据集包含了额外的详细信息，并以dataset_为前缀的列存储。数据集由Kyuhyun Lee, Dongsun Yoo, Wonseok Jeong, Seungwu Han创作，并遵循GPL-3.0许可。

The SIMPLE NN SiO2 dataset consists of 10,000 configurations of SiO2 used as an example for training the SIMPLE-NN machine learning model. It includes three types of crystals: quartz, cristobalite, and tridymite, as well as amorphous and liquid phase SiO2. The dataset also contains structures with distortions from compression, monoaxial strain, and shear strain. Additional details are stored in columns prefixed with dataset_. The dataset is created by Kyuhyun Lee, Dongsun Yoo, Wonseok Jeong, Seungwu Han, and is licensed under gpl-3.0.