{
  "_schema": "https://data.nist.gov/od/dm/nerdm-schema/v0.7#",
  "@context": [
    "https://data.nist.gov/od/dm/nerdm-pub-context.jsonld",
    {
      "@base": "ark:/88434/mds2-2800"
    }
  ],
  "@type": [
    "nrdp:PublicDataResource",
    "dcat:Dataset"
  ],
  "_extensionSchemas": [
    "https://data.nist.gov/od/dm/nerdm-schema/pub/v0.7#/definitions/PublicDataResource"
  ],
  "@id": "ark:/88434/mds2-2800",
  "ediid": "ark:/88434/mds2-2800",
  "version": "1.0.0",
  "doi": "doi:10.18434/mds2-2800",
  "title": "analphipy: A python package to analyze pair-potential metrics.",
  "contactPoint": {
    "fn": "William P. Krekelberg",
    "hasEmail": "mailto:william.krekelberg@nist.gov"
  },
  "modified": "2022-09-26",
  "status": "available",
  "landingPage": "https://data.nist.gov/od/id/mds2-2800",
  "description": [
    "`analphipy` is a python package to calculate metrics for classical models for pair potentials. It provides a simple and extendable api for pair potentials creation. Several routines to calculate metrics are included in the package. The main features of `analphipy` are 1)  Pre-defined spherically symmetric potentials. 2)  Simple interface to extended to user defined pair potentials. 3) Routines to calculate Noro-Frenkel effective parameters. 4) Routines to calculate Jensen-Shannon divergence."
  ],
  "keyword": [
    "Python",
    "Statistical Mechanics"
  ],
  "theme": [
    "Chemistry: Chemical thermodynamics and chemical properties"
  ],
  "topic": [
    {
      "@type": "Concept",
      "scheme": "https://data.nist.gov/od/dm/nist-themes/v1.1",
      "tag": "Chemistry: Chemical thermodynamics and chemical properties"
    }
  ],
  "accessLevel": "public",
  "license": "https://www.nist.gov/open/license",
  "publisher": {
    "name": "National Institute of Standards and Technology",
    "@type": "org:Organization"
  },
  "language": [
    "en"
  ],
  "bureauCode": [
    "006:55"
  ],
  "programCode": [
    "006:052"
  ],
  "components": [
    {
      "accessURL": "https://github.com/usnistgov/analphipy",
      "title": "analphipy: A python package to analyze pair-potential metrics",
      "@type": [
        "nrdp:AccessPage",
        "dcat:Distribution"
      ],
      "@id": "#usnistgov/analphipy",
      "_extensionSchemas": [
        "https://data.nist.gov/od/dm/nerdm-schema/pub/v0.7#/definitions/AccessPage"
      ]
    },
    {
      "@id": "cmps/README.pdf",
      "@type": [
        "nrdp:DataFile",
        "nrdp:DownloadableFile",
        "dcat:Distribution"
      ],
      "_extensionSchemas": [
        "https://data.nist.gov/od/dm/nerdm-schema/pub/v0.7#/definitions/DataFile"
      ],
      "filepath": "README.pdf",
      "downloadURL": "https://data.nist.gov/od/ds/mds2-2800/README.pdf",
      "mediaType": "application/pdf",
      "title": "README",
      "size": 85074,
      "checksum": {
        "hash": "9b34d068680efcecc89be07764855f9f9e408e3ed02492cf9358a7bbc35f2b2c",
        "algorithm": {
          "tag": "sha256",
          "@type": "Thing"
        }
      }
    }
  ],
  "annotated": "2022-10-07T19:36:32.449289",
  "revised": "2022-10-07T19:36:32.449289",
  "issued": null,
  "firstIssued": "2022-10-07T19:36:32.449289"
}