Dataset used in MLIPs for Multi-component SSEs

This dataset includes all the data used in the paper about MLIPs for Multi-component SSEs: Lattice parameters and fractional coordinates for each structure used in MD, including NaSICON system, LPGSO system, and LIYBC system. The CIF files of Li atom sites in Li3In0.5Y0.5Br3Cl3, analyzed from MD simulations with GEMDAT package. Training dataset and training scripts for fine-tuning and training from scratch for these three systems.