{ "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 ] [ 0.219676 0 0.5 ] [ 0 0.780324 0.5 ] [ 0 0.219676 0.5 ] [ 0.780324 0 0.5 ] [ 0.658024 0 0 ] [ 0.341976 0 0 ] [ 0 0.658024 0 ] [ 0 0.341976 0 ] [ 0.719676 0.5 0 ] [ 0.5 0.280324 0 ] [ 0.5 0.719676 0 ] [ 0.280324 0.5 0 ] [ 0.158024 0.5 0.5 ] [ 0.841976 0.5 0.5 ] [ 0.5 0.158024 0.5 ] [ 0.5 0.841976 0.5 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] ] } "species" { "source-value" [ "Np" "Np" "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" 8.6980409292 "source-unit" "angstrom" } "c" { "source-value" 5.01952775319 "source-unit" "angstrom" } }