{ "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 0 ] [ 0.5 0.5 0.5 ] [ 0.339167 0 0 ] [ 0 0.780644 0.5 ] [ 0.780644 0 0.5 ] [ 0.219356 0 0.5 ] [ 0 0.219356 0.5 ] [ 0.660833 0 0 ] [ 0 0.339167 0 ] [ 0 0.660833 0 ] [ 0.839167 0.5 0.5 ] [ 0.5 0.280644 0 ] [ 0.280644 0.5 0 ] [ 0.719356 0.5 0 ] [ 0.5 0.719356 0 ] [ 0.160833 0.5 0.5 ] [ 0.5 0.839167 0.5 ] [ 0.5 0.160833 0.5 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.25 ] ] } "species" { "source-value" [ "Lu" "Lu" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.65380181411 "source-unit" "angstrom" } "c" { "source-value" 5.01314679557 "source-unit" "angstrom" } }