{ "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" [ [ 0.173529 0.826471 0.844141 ] [ 0.826471 0.826471 0.155859 ] [ 0.826471 0.173529 0.844141 ] [ 0.173529 0.173529 0.155859 ] [ 0.673529 0.326471 0.344141 ] [ 0.326471 0.326471 0.655859 ] [ 0.326471 0.673529 0.344141 ] [ 0.673529 0.673529 0.655859 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.094462 0.094462 0.645492 ] [ 0.905538 0.094462 0.354508 ] [ 0.905538 0.905538 0.645492 ] [ 0.094462 0.905538 0.354508 ] [ 0.594462 0.594462 0.145492 ] [ 0.405538 0.594462 0.854508 ] [ 0.405538 0.405538 0.145492 ] [ 0.594462 0.405538 0.854508 ] ] } "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" 8.93641780048 "source-unit" "angstrom" } "c" { "source-value" 5.60313895934 "source-unit" "angstrom" } }