Data for "Tensorial properties via the neuroevolution potential framework: Fast simulation of infrared and Raman spectra" doi-10-5281-zenodo-10257363-0 https://doi.org/10.5281/zenodo.10257363 Swedish National Data Service Svensk nationell datatjänst Landing page Data for "Tensorial properties via the neuroevolution potential framework: Fast simulation of infrared and Raman spectra" doi-10-5281-zenodo-10257363-0 https://doi.org/10.5281/zenodo.10257363 Xu, Nan Rosander, Petter Schäfer, Christian Lindgren, Eric Österbacka, Nicklas Fang, Mandi Chen, Wei He, Yi Fan, Zheyong Erhart, Paul Swedish National Data Service Svensk nationell datatjänst Landing page 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/). Access to data through an external actor. Data are freely accessible. Åtkomst till data via extern aktör. Data är fritt tillgängliga. openAccess