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    • NIST Standard Reference Simulation Website - SRD 173

    Metadata Updated: July 29, 2022

    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 March 11, 2021
    Metadata Updated Date July 29, 2022

    Metadata Source

    Harvested from NIST

    Other Data Resources

    Additional Metadata

    Resource Type Dataset
    Metadata Created Date March 11, 2021
    Metadata Updated Date July 29, 2022
    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/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 b8ed19f7-a0ce-477d-8560-41a89a4bf1d2
    Harvest Source Id 74e175d9-66b3-4323-ac98-e2a90eeb93c0
    Harvest Source Title NIST
    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 e4cf462bf7c4017dbd29594a76af36b13eb517d5
    Source Schema Version 1.1

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