Download Dataset XYZ file

Name FitSNAP-Fe-NPJ-2021
Extended ID FitSNAP-Fe-NPJ-2021_NikolovWoodCangiMailletMarinicaThompsonDesjarlaisTranchida__DS_taxhgs1dgvnf_0
Description About 2,500 configurations of alpha-Fe used in the training and testing of a ML model with the goal of building magneto-elastic machine-learning interatomic potentials for large-scale spin-lattice dynamics simulations.
Authors Svetoslav Nikolov
Mitchell A. Wood
Attila Cangi
Jean-Bernard Maillet
Mihai-Cosmin Marinica
Aidan P. Thompson
Michael P. Desjarlais
Julien Tranchida
Elements Fe (100.0%)
Number of Data Objects 2,157
Number of Configurations 2,157
Number of Atoms 44,480
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_taxhgs1dgvnf_0
Files colabfitspec.json

No uploaded content is transferred in ownership from the original creators to ColabFit. All content is distributed under the license specified by its contributor who has stated that he or she has the authority to share it under the specified license.