NIST Interatomic Potentials Repository

Published by National Institute of Standards and Technology | National Institute of Standards and Technology | Metadata Last Checked: June 27, 2025 | Last Modified: 2016-02-25 00:00:00

This repository provides a source for interatomic potentials (force fields), related files, and evaluation tools to help researchers obtain interatomic models and judge their quality and applicability. Users are encouraged to download and use interatomic potentials, with proper acknowledgement, and developers are welcome to contribute potentials for inclusion. The files provided have been submitted or vetted by their developers and appropriate references are provided. All classes of potentials (e.g., MEAM, ADP, COMB, Reax, EAM, etc.) and materials are welcome. Interatomic potentials and/or related files are currently available for various metals, semiconductors, oxides, and carbon-containing systems.

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Complete Metadata

bureauCode	[ "006:55" ]
identifier	EBC9DB05EDF05B0EE043065706812DF87
landingPage	https://data.nist.gov/od/id/EBC9DB05EDF05B0EE043065706812DF87
language	[ "en" ]
programCode	[ "006:052" ]
references	[ "https://dx.doi.org/10.1016/j.cossms.2013.10.001" ]
theme	[ "Materials:Modeling and computational material science" ]