Data for "Tensorial properties via the neuroevolution potential framework: Fast simulation of infrared and Raman spectra"

This record contains neuroevolution potential (NEP) and tensor neuroevolution potential (TNEP) models (nep.txt) for molecular water species, liquid water as well as barium zirconate, along with training data (.zip). The models were constructed using GPUMD 3.9 (https://gpumd.org/).