{ "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 0.346836 0.601066 ] [ 0.75 0.653164 0.398934 ] [ 0.25 0.846836 0.898934 ] [ 0.75 0.153164 0.101066 ] [ 0.25 0.034025 0.329437 ] [ 0.75 0.965975 0.670563 ] [ 0.25 0.534025 0.170563 ] [ 0.75 0.465975 0.829437 ] [ 0.25 0.254155 0.92437 ] [ 0.75 0.745845 0.07563 ] [ 0.25 0.754155 0.57563 ] [ 0.75 0.245845 0.42437 ] [ 0.993097 0.832204 0.144507 ] [ 0.493097 0.167796 0.855493 ] [ 0.506903 0.332204 0.355493 ] [ 0.006903 0.667796 0.644507 ] [ 0.006903 0.167796 0.855493 ] [ 0.506903 0.832204 0.144507 ] [ 0.493097 0.667796 0.644507 ] [ 0.993097 0.332204 0.355493 ] [ 0.25 0.464194 0.897372 ] [ 0.75 0.535806 0.102628 ] [ 0.25 0.964194 0.602628 ] [ 0.75 0.035806 0.397372 ] [ 0.75 0.287143 0.58861 ] [ 0.25 0.712857 0.41139 ] [ 0.75 0.787143 0.91139 ] [ 0.25 0.212857 0.08861 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "W" "W" "W" "W" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.39510547 "source-unit" "angstrom" } "b" { "source-value" 10.39569018 "source-unit" "angstrom" } "c" { "source-value" 13.20640241 "source-unit" "angstrom" } }