{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.892123 ] [ 0 0 0.107877 ] [ 0.5 0.5 0.392123 ] [ 0.5 0.5 0.607877 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.048042 ] [ 0.5 0.5 0.951958 ] [ 0 0 0.548042 ] [ 0 0 0.451958 ] [ 0.5 0.5 0.801934 ] [ 0.5 0.5 0.198066 ] [ 0 0 0.301934 ] [ 0 0 0.698066 ] [ 0 0 0.197047 ] [ 0 0.5 0.949663 ] [ 0 0.5 0.050337 ] [ 0 0 0.802953 ] [ 0.5 0.5 0.866928 ] [ 0.5 0.5 0.133072 ] [ 0.5 0 0.949663 ] [ 0.5 0 0.050337 ] [ 0.5 0.5 0.697047 ] [ 0.5 0 0.449663 ] [ 0.5 0 0.550337 ] [ 0.5 0.5 0.302953 ] [ 0 0 0.366928 ] [ 0 0 0.633072 ] [ 0 0.5 0.449663 ] [ 0 0.5 0.550337 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ca" "Ca" "Cu" "Cu" "Cu" "Cu" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "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" 3.75245629955 "source-unit" "angstrom" } "c" { "source-value" 31.8167793727 "source-unit" "angstrom" } }