{ "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 0.693297 0.5 ] [ 0.693297 0 0.5 ] [ 0.306703 0 0.5 ] [ 0 0.306703 0.5 ] [ 0.5 0.193297 0 ] [ 0.193297 0.5 0 ] [ 0.806703 0.5 0 ] [ 0.5 0.806703 0 ] [ 0.851621 0.851621 0 ] [ 0.851621 0.148379 0 ] [ 0.148379 0.851621 0 ] [ 0.148379 0.148379 0 ] [ 0.351621 0.351621 0.5 ] [ 0.351621 0.648379 0.5 ] [ 0.648379 0.351621 0.5 ] [ 0.648379 0.648379 0.5 ] [ 0 0.712666 0 ] [ 0.712666 0 0 ] [ 0.287334 0 0 ] [ 0 0.287334 0 ] [ 0.5 0.212666 0.5 ] [ 0.212666 0.5 0.5 ] [ 0.787334 0.5 0.5 ] [ 0.5 0.787334 0.5 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "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" 10.1463147154 "source-unit" "angstrom" } "c" { "source-value" 5.9470839371 "source-unit" "angstrom" } }