CHASAM 2026: Datasets for Chalmers School on Atomic Modeling doi-10-5281-zenodo-22252488-0 https://doi.org/10.5281/zenodo.22252488 Swedish National Data Service Svensk nationell datatjänst Landing page CHASAM 2026: Datasets for Chalmers School on Atomic Modeling doi-10-5281-zenodo-22252488-0 https://doi.org/10.5281/zenodo.22252488 Fransson, Erik Berger, Esmée Lindgren, Eric Uddén, Felix Svensson, Lucas Hainer, Tobias Berger, Ethan Ngoipala, Apinya Wiktor, Julia Erhart, Paul Swedish National Data Service Svensk nationell datatjänst Landing page MD trajectories used in the hands-on notebooks of the CHASAM 2026 school, https://chasam.materialsmodeling.org/. All runs were done with GPUMD using a NEP potential. Each archive unpacks into a directory of the same name, holding the input structure (model.xyz), the NEP model (nep.txt), the GPUMD input (run.in) and the trajectory (dump.xyz). Files Archive System Ensemble Temperature Supercell Frames CsPbI3_NPT_T650to1_size12_nframes2000.tar.gz CsPbI3 NPT 650 K to 1 K 12x12x12, 8640 atoms 2000 CsPbI3_NVE_T600_size4_nframes100000.tar.gz CsPbI3 NVE 600 K 4x4x4, 320 atoms 100000 CsPbI3_NVT_T650_size18_nframes500.tar.gz CsPbI3 NVT 650 K 18x18x18, 29160 atoms 500 FAPI_md-run-active-learning.tar.gz FAPbI3 NPT 1 K to 600 K 2x2x2, 96 atoms 2000 Access to data through an external actor. Data are freely accessible. Åtkomst till data via extern aktör. Data är fritt tillgängliga. openAccess