{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.192931 0.692931 0.5 ] [ 0.692931 0.807069 0.5 ] [ 0.307069 0.192931 0.5 ] [ 0.807069 0.307069 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.387934 0.887934 0.774799 ] [ 0.612066 0.112066 0.774799 ] [ 0.112066 0.387934 0.774799 ] [ 0.887934 0.612066 0.774799 ] [ 0.387934 0.887934 0.225201 ] [ 0.887934 0.612066 0.225201 ] [ 0.112066 0.387934 0.225201 ] [ 0.612066 0.112066 0.225201 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.838657 0.338657 0 ] [ 0.338657 0.161343 0 ] [ 0.661343 0.838657 0 ] [ 0.161343 0.661343 0 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ti" "Ti" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.29405288 "source-unit" "angstrom" } "c" { "source-value" 6.04505157 "source-unit" "angstrom" } }