{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.71254 0.002105 ] [ 0.75 0.28746 0.997895 ] [ 0.75 0.21254 0.497895 ] [ 0.25 0.78746 0.502105 ] [ 0.25 0.791492 0.166105 ] [ 0.75 0.208508 0.833895 ] [ 0.75 0.291492 0.333895 ] [ 0.25 0.708508 0.666105 ] [ 0.25 0.707136 0.333361 ] [ 0.75 0.292864 0.666639 ] [ 0.75 0.207136 0.166639 ] [ 0.25 0.792864 0.833361 ] [ 0.75 0.583958 0.101688 ] [ 0.75 0.916042 0.601688 ] [ 0.25 0.083958 0.398312 ] [ 0.25 0.417403 0.7687 ] [ 0.75 0.582597 0.2313 ] [ 0.75 0.917403 0.7313 ] [ 0.25 0.416042 0.898312 ] [ 0.25 0.082597 0.2687 ] [ 0.25 0.41309 0.566061 ] [ 0.75 0.58691 0.433939 ] [ 0.75 0.91309 0.933939 ] [ 0.25 0.08691 0.066061 ] [ 0.25 0.084924 0.933097 ] [ 0.75 0.915076 0.066903 ] [ 0.75 0.584924 0.566903 ] [ 0.25 0.415076 0.433097 ] [ 0.25 0.087077 0.739133 ] [ 0.75 0.587077 0.760867 ] [ 0.25 0.412923 0.239133 ] [ 0.25 0.086907 0.593517 ] [ 0.75 0.913093 0.406483 ] [ 0.75 0.586907 0.906483 ] [ 0.25 0.413093 0.093517 ] [ 0.75 0.912923 0.260867 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "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" 4.89358328 "source-unit" "angstrom" } "b" { "source-value" 8.41224873 "source-unit" "angstrom" } "c" { "source-value" 23.78542409 "source-unit" "angstrom" } }