{"@type": "dcat:Dataset", "accessLevel": "public", "accrualPeriodicity": "irregular", "bureauCode": ["006:55"], "contactPoint": {"fn": "John Vinson", "hasEmail": "mailto:john.vinson@nist.gov"}, "description": "Data and input files for \"X-ray Absorption and Resonant X-ray Emission at the Carbon Edge of Li_2CO_3\".\n\nContents:\n1. Inputs and outputs for calculations of ground-state DFT & GW are in the the ABI directory\n2. Inputs and outputs for the MD simulations are in the MD directory\n3. Inputs and outputs for the X-ray calculations are in the Xray directory\n4. Experimental data are in the Expt directory\n\nPlotting scripts for producing the figures are also included", "distribution": [{"description": "Description of data set", "downloadURL": "https://data.nist.gov/od/ds/mds2-4167/README.txt", "mediaType": "text/plain", "title": "README file"}, {"description": "Experimental results; inputs and outputs for calculations", "downloadURL": "https://data.nist.gov/od/ds/mds2-4167/LiCO3_data.tgz", "mediaType": "application/gzip", "title": "Data"}], "identifier": "ark:/88434/mds2-4167", "issued": "2026-07-09", "keyword": ["X-ray absorption", "x-ray emission"], "landingPage": "https://data.nist.gov/od/id/mds2-4167", "language": ["en"], "license": "https://www.nist.gov/open/license", "modified": "2026-04-14 00:00:00", "programCode": ["006:045"], "publisher": {"@type": "org:Organization", "name": "National Institute of Standards and Technology"}, "references": ["https://doi.org/10.48550/arXiv.2604.13228"], "theme": ["Chemistry:Theoretical chemistry and modeling", "Materials:Materials characterization", "Materials:Modeling and computational material science", "Physics:Condensed matter", "Physics:Spectroscopy"], "title": "X-ray Absorption and Resonant X-ray Emission at the Carbon Edge of Li2CO3"}