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Name FitSNAP_Fe_NPJ_2021
Extended ID FitSNAP_Fe_NPJ_2021_NikolovWoodCangiMailletMarinicaThompsonDesjarlaisTranchida__DS_ej5u0tuycoph_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
DOI 10.60732/fe28ef5e

Cite as: Nikolov, S., Wood, M. A., Cangi, A., Maillet, J., Marinica, M., Thompson, A. P., Desjarlais, M. P., and Tranchida, J. "FitSNAP Fe NPJ 2021." ColabFit, 2023.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements Fe (100.0%)
Number of Data Objects 2,517
Number of Configurations 2,517
Number of Atoms 61,526
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_ej5u0tuycoph_0
Files colabfitspec.json

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