{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.666139 ] [ 0 0 0.333861 ] [ 0.5 0.5 0.833861 ] [ 0.5 0.5 0.166139 ] [ 0.203186 0.796814 0.5 ] [ 0.185039 0.814961 0.842672 ] [ 0.185039 0.814961 0.157328 ] [ 0.685039 0.685039 0.657328 ] [ 0.685039 0.685039 0.342672 ] [ 0.703186 0.703186 0 ] [ 0.296814 0.296814 0 ] [ 0.314961 0.314961 0.657328 ] [ 0.314961 0.314961 0.342672 ] [ 0.814961 0.185039 0.842672 ] [ 0.814961 0.185039 0.157328 ] [ 0.796814 0.203186 0.5 ] ] } "species" { "source-value" [ "Co" "Co" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "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" 4.90629422 "source-unit" "angstrom" } "c" { "source-value" 9.95029986 "source-unit" "angstrom" } }