Platinum nanoparticle database

This is a database of Pt nanoparticles generated with a GAP interatomic potential for platinum [1]. The files are provided in ASE's extended XYZ format. The database contains the following entries: <strong>NP-DB01.yxz</strong>: 8000 Pt nanoparticles with sizes between 10 and 349 atoms, generated with a "cooking" protocol. <strong>NP-DB02.yxz</strong>: 3400 Pt nanoparticles with sizes between 10 and 349 atoms, generated with a "crystallization" protocol. This is the paper reference for this database: <strong>J. Kloppenburg, L. B. Pártay, H. Jónsson, M. A. Caro</strong>. "A general-purpose machine learning Pt interatomic potential for an accurate description of bulk, surfaces and nanoparticles". J. Chem. Phys. 158, 134704 (2023) <strong>Protocols</strong> "<strong>Cooking</strong>": annealing at 1500 K for 20 ps from fcc + quenching down to 100 K over 20 ps + geometry relaxation to local minimum. "<strong>Crystallization</strong>": annealing at 1150 K for 20 ps from a random spherical distribution + quenching down to 100 K over 20 ps + geometry relaxation to local minimum. <strong>References</strong> J. Kloppenburg and M.A. Caro. General-purpose GAP potential for platinum. DOI: 10.5281/zenodo.7415219.