Supporting Data for: "Additivity of atomic strain fields as a tool to strain-engineering phase-stabilized CsPbI$_3$ perovskites"

This dataset contains every training and validation datasets ase well as config YAML files that were used to train the NequIP MLPs in the paper titles as  "Additivity of atomic strain fields as a tool to strain-engineering phase-stabilized CsPbI$_3$ perovskites".

Also python scripts for MLP-MD and strain field analysis are supplied.