{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.966267 ] [ 0 0.5 0.033733 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0 0.393772 ] [ 0 0.5 0.606228 ] [ 0.5 0.311061 0.801805 ] [ 0.5 0.688939 0.801805 ] [ 0.188939 0 0.801805 ] [ 0.811061 0 0.801805 ] [ 0.311061 0.5 0.198195 ] [ 0 0.188939 0.198195 ] [ 0.688939 0.5 0.198195 ] [ 0 0.811061 0.198195 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.92604117 "source-unit" "angstrom" } "c" { "source-value" 5.07476618 "source-unit" "angstrom" } }