{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.267224 0.774695 0 ] [ 0 0 0.756293 ] [ 0.774695 0.732776 0 ] [ 0.225305 0.267224 0 ] [ 0 0 0.243707 ] [ 0.732776 0.225305 0 ] [ 0.767224 0.274695 0.5 ] [ 0.5 0.5 0.256293 ] [ 0.274695 0.232776 0.5 ] [ 0.725305 0.767224 0.5 ] [ 0.5 0.5 0.743707 ] [ 0.232776 0.725305 0.5 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Te" "Te" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.82895165576 "source-unit" "angstrom" } "c" { "source-value" 11.2269899571 "source-unit" "angstrom" } }