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    • NIST Standard Reference Simulation Website - SRD 173

    Metadata Updated: September 30, 2025

    The Standard Reference Simulation Website is an ongoing project whose aim is to provide well-documented simulation results for a variety of systems and from various simulation techniques. The data include raw canonical potential energy, macrostate probability distributions, metadata explaining the simulation parameters and constraints, and thermophysical properties generated by processing the raw simulation output, including pressure, phase coexistence properties, self-diffusivity, and excess entropy. Thermodynamic properties and reference energy calculations are given on the website in tabular form. Data are generated from well-proven molecular simulation software with repeated simulation runs to prove repeatability and provide error estimates so that the data can serve as Standard Reference Data (http://www.nist.gov/srd/upload/SRDAct-2.pdf).

    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 November 12, 2020
    Metadata Updated Date September 30, 2025

    Metadata Source

    Harvested from Commerce Non Spatial Data.json Harvest Source

    Other Data Resources

    Additional Metadata

    Resource Type Dataset
    Metadata Created Date November 12, 2020
    Metadata Updated Date September 30, 2025
    Publisher National Institute of Standards and Technology
    Maintainer
    Identifier FF429BC178798B3EE0431A570681E858232
    Language en
    Data Last Modified 2017-09-01 00:00:00
    Category Chemistry:Chemical thermodynamics and chemical properties, Chemistry:Chemical engineering and processing, Chemistry:Theoretical chemistry and modeling, Physics:Atomic, molecular, and quantum, Chemistry:Thermochemical properties, Standards:Reference data, Physics:Thermodynamics, Materials:Materials characterization
    Public Access Level public
    Bureau Code 006:55
    Metadata Context https://project-open-data.cio.gov/v1.1/schema/catalog.jsonld
    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 a3156f8c-f3b7-47e8-a5ee-6cf0943497a2
    Harvest Source Id bce99b55-29c1-47be-b214-b8e71e9180b1
    Harvest Source Title Commerce Non Spatial Data.json Harvest Source
    Homepage URL https://data.nist.gov/od/id/FF429BC178798B3EE0431A570681E858232
    License https://www.nist.gov/open/license
    Program Code 006:052
    Source Datajson Identifier True
    Source Hash 7881d994346152095e20e2d5e3e72f8bbf40105aa5b9f11216108b6e3df95621
    Source Schema Version 1.1

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