{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0.710122 0.710122 0.855043 ] [ 0.710122 0.289878 0.144957 ] [ 0.289878 0.710122 0.144957 ] [ 0.289878 0.289878 0.855043 ] [ 0.210122 0.210122 0.355043 ] [ 0.210122 0.789878 0.644957 ] [ 0.789878 0.210122 0.644957 ] [ 0.789878 0.789878 0.355043 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.861666 0.861666 0.082119 ] [ 0.138334 0.861666 0.917881 ] [ 0.138334 0.138334 0.082119 ] [ 0.861666 0.138334 0.917881 ] [ 0.361666 0.361666 0.582119 ] [ 0.638334 0.361666 0.417881 ] [ 0.638334 0.638334 0.582119 ] [ 0.361666 0.638334 0.417881 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "C" "C" "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" 5.96314911566 "source-unit" "angstrom" } "c" { "source-value" 10.4205285319 "source-unit" "angstrom" } }