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    • "Construction of Amorphous Structure Models via Relaxation of Random Arrangements of Molecules" dataset.

    Metadata Updated: July 9, 2025

    Dataset and workflow for the Construction of Amorphous Structure Models via Relaxation of Random Arrangements of Molecules. This is associated with manuscript "Construction of Amorphous Structure Models via Relaxation of Random Arrangements of Molecules" by Jarod Worden, Eric Cockayne, and Kevin F. Garrity. The primary investigated systems are silicon, SiO2, HfO2, ZrCu, and Al2O3.

    Access & Use Information

    Public: This dataset is intended for public access and use. License: See this page for license information.

    Downloads & Resources

    Dates

    Metadata Created Date July 9, 2025
    Metadata Updated Date July 9, 2025

    Metadata Source

    Harvested from NIST

    Other Data Resources

    Additional Metadata

    Resource Type Dataset
    Metadata Created Date July 9, 2025
    Metadata Updated Date July 9, 2025
    Publisher National Institute of Standards and Technology
    Maintainer
    Identifier ark:/88434/mds2-3831
    Data First Published 2025-05-13
    Language en
    Data Last Modified 2025-05-09 00:00:00
    Category Materials:Modeling and computational material science, Chemistry:Theoretical chemistry and modeling
    Public Access Level public
    Bureau Code 006:55
    Metadata Context https://project-open-data.cio.gov/v1.1/schema/data.json
    Schema Version https://project-open-data.cio.gov/v1.1/schema
    Catalog Describedby https://project-open-data.cio.gov/v1.1/schema/catalog.json
    Harvest Object Id 21ab54ce-c2f8-443b-abf6-2a4f6b4ed564
    Harvest Source Id 74e175d9-66b3-4323-ac98-e2a90eeb93c0
    Harvest Source Title NIST
    License https://www.nist.gov/open/license
    Program Code 006:045
    Source Datajson Identifier True
    Source Hash 7bd2cc456bcd78100f858b17531d6863bdd5c06321b0f288c736a09bf6b9f155
    Source Schema Version 1.1

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