{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.755578 0.25 ] [ 0.5 0.244422 0.75 ] [ 0 0.255578 0.25 ] [ 0 0.744422 0.75 ] [ 0.5 0.961045 0.75 ] [ 0.5 0.038955 0.25 ] [ 0 0.461045 0.75 ] [ 0 0.538955 0.25 ] [ 0 0.939359 0.25 ] [ 0 0.060641 0.75 ] [ 0.5 0.883054 0.545964 ] [ 0.5 0.883054 0.954036 ] [ 0.5 0.116946 0.045964 ] [ 0.5 0.116946 0.454036 ] [ 0.5 0.439359 0.25 ] [ 0.5 0.560641 0.75 ] [ 0 0.383054 0.545964 ] [ 0 0.383054 0.954036 ] [ 0 0.616946 0.045964 ] [ 0 0.616946 0.454036 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Cs" "Cs" "Cs" "Cs" "Cd" "Cd" "Cd" "Cd" "Se" "Se" "Se" "Se" "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" 4.32036533 "source-unit" "angstrom" } "b" { "source-value" 16.38665696 "source-unit" "angstrom" } "c" { "source-value" 11.23763923 "source-unit" "angstrom" } }