Neuroevolution potential models and datasets from "Atomic armor for thermal stability in nanoporous structures"

This file contains the neuroevolution potential (NEP) models and datasets used in the paper "Atomic armor for thermal stability in nanoporous structures" published in [Proceedings of the National Academy of Sciences of the United States of America (PNAS)]. Note that nep.in, nep.txt, and train.xyz contains the specific parameters used to obtain the NEP model, the NEP model itself, and the dataset used, respectively.