{ "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 0.342766 0 ] [ 0.342766 0 0 ] [ 0.657234 0 0 ] [ 0 0.657234 0 ] [ 0 0.778259 0.5 ] [ 0.778259 0 0.5 ] [ 0.221741 0 0.5 ] [ 0 0.221741 0.5 ] [ 0.5 0.842766 0.5 ] [ 0.842766 0.5 0.5 ] [ 0.157234 0.5 0.5 ] [ 0.5 0.157234 0.5 ] [ 0.5 0.278259 0 ] [ 0.278259 0.5 0 ] [ 0.721741 0.5 0 ] [ 0.5 0.721741 0 ] [ 0.25 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.25 0.75 0.75 ] ] } "species" { "source-value" [ "Ce" "Ce" "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" 8.75680787482 "source-unit" "angstrom" } "c" { "source-value" 5.02259273404 "source-unit" "angstrom" } }