{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P22_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.68403 0 0.5 ] [ 0.31597 0.5 0 ] [ 0.92558 0 0 ] [ 0.07442 0.5 0.5 ] [ 0.562978 0.534668 0.631376 ] [ 0.116461 0.794097 0.741902 ] [ 0.562978 0.465332 0.368624 ] [ 0.437022 0.034668 0.868624 ] [ 0.116461 0.205903 0.258098 ] [ 0.437022 0.965332 0.131376 ] [ 0.883539 0.705903 0.241902 ] [ 0.883539 0.294097 0.758098 ] [ 0.37844 0.396339 0.66195 ] [ 0.170932 0.163975 0.396511 ] [ 0.170932 0.836025 0.603489 ] [ 0.62156 0.896339 0.83805 ] [ 0.829068 0.336025 0.896511 ] [ 0.829068 0.663975 0.103489 ] [ 0.37844 0.603661 0.33805 ] [ 0.62156 0.103661 0.16195 ] [ 0.922273 0.730628 0.342918 ] [ 0.699415 0.370435 0.388873 ] [ 0.699415 0.629565 0.611127 ] [ 0.300585 0.129565 0.888873 ] [ 0.922273 0.269372 0.657082 ] [ 0.077727 0.230628 0.157082 ] [ 0.077727 0.769372 0.842918 ] [ 0.300585 0.870435 0.111127 ] ] } "species" { "source-value" [ "Rb" "Rb" "Bi" "Bi" "C" "C" "C" "C" "C" "C" "C" "C" "S" "S" "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.54920874 "source-unit" "angstrom" } "b" { "source-value" 7.73548975 "source-unit" "angstrom" } "c" { "source-value" 11.29915622 "source-unit" "angstrom" } }