Dataset and training files for "Is the water/Pt(111) interface ordered at room temperature?"

Supplementary files for the publication "Is the water-Pt(111) interface ordered at room temperature?" published in the Journal of Chemical Physics. The contents are the training set used to train the neural network potentials as well as the neural RuNNer input and output files used for training and running molecular dynamics simulations.

《室温下水-Pt(111)界面是否有序？》一文的辅助文件，发表于《化学物理杂志》。其内容包括用于训练神经网络势能的培训集，以及用于训练和运行分子动力学模拟的神经网络RuNNer输入和输出文件。