{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.757431 0.757431 0 ] [ 0.242569 0.757431 0.5 ] [ 0.757431 0.242569 0.5 ] [ 0.242569 0.242569 0 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0.739867 0.260133 0.156823 ] [ 0.739867 0.739867 0.343177 ] [ 0.260133 0.260133 0.656823 ] [ 0.739867 0.739867 0.656823 ] [ 0.260133 0.260133 0.343177 ] [ 0.739867 0.260133 0.843177 ] [ 0.260133 0.739867 0.843177 ] [ 0.260133 0.739867 0.156823 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ti" "Ti" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.91354259 "source-unit" "angstrom" } "c" { "source-value" 14.54037929 "source-unit" "angstrom" } }