{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.129241 0.335695 ] [ 0.75 0.870759 0.335695 ] [ 0.25 0.130867 0 ] [ 0.75 0.869133 0 ] [ 0.75 0.629241 0.164305 ] [ 0.25 0.370759 0.164305 ] [ 0.75 0.629241 0.835695 ] [ 0.25 0.370759 0.835695 ] [ 0.75 0.630867 0.5 ] [ 0.25 0.369133 0.5 ] [ 0.25 0.129241 0.664305 ] [ 0.75 0.870759 0.664305 ] [ 0.75 0.415154 0 ] [ 0.25 0.584846 0 ] [ 0.25 0.915154 0.5 ] [ 0.75 0.084846 0.5 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0 0.5 0.313905 ] [ 0.5 0.5 0.313905 ] [ 0.25 0.714604 0.395275 ] [ 0.75 0.285396 0.395275 ] [ 0.75 0.214604 0.104725 ] [ 0.25 0.785396 0.104725 ] [ 0 0 0.186095 ] [ 0.5 0 0.186095 ] [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.5 0 0.813905 ] [ 0 0 0.813905 ] [ 0.75 0.214604 0.895275 ] [ 0.25 0.785396 0.895275 ] [ 0.25 0.714604 0.604725 ] [ 0.75 0.285396 0.604725 ] [ 0.5 0.5 0.686095 ] [ 0 0.5 0.686095 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "In" "In" "In" "In" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.70993924 "source-unit" "angstrom" } "b" { "source-value" 8.59220601 "source-unit" "angstrom" } "c" { "source-value" 19.96823412 "source-unit" "angstrom" } }