Li-Al MLIP Models & Datasets
Eight datasets (two training, two validation, and four testing) for the publication “Assessing the accuracy of MLIPs in predicting the elemental ordering: a case study on Li-Al alloys.” Each directory contains compressed structural data (VASP POSCAR format) along with the corresponding energies and forces.
Reference: Yunsheng Liu, Yifei Mo*, “Assessing the Accuracy of Machine Learning Interatomic Potentials in Predicting the Elemental Orderings: A Case Study of Li-Al Alloys”, Acta Materialia, 268, 119742 (2024)