{
  "_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/mds2-3590"
    }
  ],
  "@type": [
    "nrdp:DataPublication",
    "nrdp:PublicDataResource",
    "dcat:Dataset"
  ],
  "_extensionSchemas": [
    "https://data.nist.gov/od/dm/nerdm-schema/pub/v0.7#/definitions/PublicDataResource"
  ],
  "@id": "ark:/88434/mds2-3590",
  "ediid": "ark:/88434/mds2-3590",
  "version": "1.0.0",
  "doi": "doi:10.18434/mds2-3590",
  "title": "Data and input files associated with \"Bloch-state optimal basis sets: An efficient approach for electronic structure interpolation\"",
  "contactPoint": {
    "fn": "John Vinson",
    "hasEmail": "mailto:john.vinson@nist.gov"
  },
  "modified": "2024-10-04",
  "status": "available",
  "landingPage": "https://data.nist.gov/od/id/mds2-3590",
  "description": [
    "Data and input files for publication \"Bloch-state optimal basis sets: An efficient approach for electronic structure interpolation\""
  ],
  "keyword": [
    "X-ray absorption",
    "x-ray emission",
    "Advanced Materials",
    "Energy"
  ],
  "topic": [
    {
      "@type": "Concept",
      "scheme": "https://data.nist.gov/od/dm/nist-themes/v1.1",
      "tag": "Materials: Modeling and computational material science"
    },
    {
      "@type": "Concept",
      "scheme": "https://data.nist.gov/od/dm/nist-themes/v1.1",
      "tag": "Physics: Condensed matter"
    }
  ],
  "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"
  ],
  "theme": [
    "Materials: Modeling and computational material science",
    "Physics: Condensed matter"
  ],
  "components": [
    {
      "accessURL": "https://datapub.nist.gov/od/id/mds2-3590",
      "title": "Access URL",
      "@type": [
        "nrdp:AccessPage",
        "dcat:Distribution"
      ],
      "@id": "#od/id/mds2-3590",
      "_extensionSchemas": [
        "https://data.nist.gov/od/dm/nerdm-schema/pub/v0.7#/definitions/AccessPage"
      ]
    },
    {
      "@id": "cmps/Data.zip",
      "@type": [
        "nrdp:DataFile",
        "nrdp:DownloadableFile",
        "dcat:Distribution"
      ],
      "_extensionSchemas": [
        "https://data.nist.gov/od/dm/nerdm-schema/pub/v0.7#/definitions/DataFile"
      ],
      "filepath": "Data.zip",
      "downloadURL": "https://data.nist.gov/od/ds/mds2-3590/Data.zip",
      "mediaType": "application/zip",
      "title": "Data",
      "size": 1747096,
      "checksum": {
        "hash": "cad55141ddb3a85c6d953063769ba5962bdc2ef729a17e8bb02f56f33e0a7840",
        "algorithm": {
          "tag": "sha256",
          "@type": "Thing"
        }
      }
    },
    {
      "@id": "cmps/3590_README.txt",
      "@type": [
        "nrdp:DataFile",
        "nrdp:DownloadableFile",
        "dcat:Distribution"
      ],
      "_extensionSchemas": [
        "https://data.nist.gov/od/dm/nerdm-schema/pub/v0.7#/definitions/DataFile"
      ],
      "filepath": "3590_README.txt",
      "downloadURL": "https://data.nist.gov/od/ds/mds2-3590/3590_README.txt",
      "mediaType": "text/plain",
      "format": {
        "description": "Plain text"
      },
      "description": "A description of the data",
      "title": "README",
      "size": 4971,
      "checksum": {
        "hash": "417e9b5b5821cbf545abbc2b4e12692c5fd416a5fe9eaadacca72ed7dfb814f1",
        "algorithm": {
          "tag": "sha256",
          "@type": "Thing"
        }
      }
    }
  ],
  "_editStatus": "done",
  "authors": [
    {
      "familyName": "Jamnuch",
      "fn": "Sasawat  Jamnuch",
      "givenName": "Sasawat",
      "middleName": "",
      "affiliation": [
        {
          "title": "National Institute of Standards and Technology",
          "@type": "org:Organization",
          "@id": "ror:05xpvk416"
        },
        {
          "title": "Theis",
          "@type": "org:Organization"
        }
      ],
      "orcid": "0009-0008-7021-1942",
      "@type": "foaf:Person"
    },
    {
      "familyName": "Vinson",
      "fn": "John  Vinson",
      "givenName": "John",
      "middleName": "",
      "affiliation": [
        {
          "title": "National Institute of Standards and Technology",
          "@type": "org:Organization",
          "@id": "ror:05xpvk416"
        }
      ],
      "orcid": "0000-0002-7619-7060",
      "@type": "foaf:Person"
    }
  ],
  "annotated": "2024-10-29T20:33:57.285945",
  "revised": "2024-10-29T20:33:57.285945",
  "issued": null,
  "firstIssued": "2024-10-29T20:33:57.285945"
}