{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.657529 0.424011 ] [ 0.75 0.342471 0.575989 ] [ 0.25 0.157529 0.075989 ] [ 0.75 0.842471 0.924011 ] [ 0.25 0.503418 0.798264 ] [ 0.75 0.496582 0.201736 ] [ 0.25 0.003418 0.701736 ] [ 0.75 0.996582 0.298264 ] [ 0.25 0.222141 0.415838 ] [ 0.75 0.777859 0.584162 ] [ 0.25 0.722141 0.084162 ] [ 0.75 0.277859 0.915838 ] [ 0.991681 0.719828 0.67278 ] [ 0.491681 0.280172 0.32722 ] [ 0.508319 0.219828 0.82722 ] [ 0.008319 0.780172 0.17278 ] [ 0.008319 0.280172 0.32722 ] [ 0.508319 0.719828 0.67278 ] [ 0.491681 0.780172 0.17278 ] [ 0.991681 0.219828 0.82722 ] [ 0.25 0.324203 0.571276 ] [ 0.75 0.675797 0.428724 ] [ 0.25 0.824203 0.928724 ] [ 0.75 0.175797 0.071276 ] [ 0.75 0.002584 0.556188 ] [ 0.25 0.997416 0.443812 ] [ 0.75 0.502584 0.943812 ] [ 0.25 0.497416 0.056188 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Sr" "Sr" "Sr" "Sr" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.96336622 "source-unit" "angstrom" } "b" { "source-value" 7.54848358 "source-unit" "angstrom" } "c" { "source-value" 10.11853923 "source-unit" "angstrom" } }