{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm3" } "basis-atom-coordinates" { "source-value" [ [ 0.678856 0 0.5 ] [ 0.5 0.321144 0 ] [ 0 0.5 0.321144 ] [ 0.5 0.678856 0 ] [ 0 0.5 0.678856 ] [ 0.321144 0 0.5 ] [ 0.5 0 0.834284 ] [ 0.217815 0.217815 0.217815 ] [ 0.782185 0.782185 0.217815 ] [ 0.217815 0.782185 0.782185 ] [ 0.834284 0.5 0 ] [ 0.782185 0.782185 0.782185 ] [ 0.217815 0.217815 0.782185 ] [ 0.782185 0.217815 0.217815 ] [ 0.217815 0.782185 0.217815 ] [ 0 0.834284 0.5 ] [ 0.5 0 0.165716 ] [ 0 0.165716 0.5 ] [ 0.165716 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.782185 0.217815 0.782185 ] [ 0.5 0.244044 0.334604 ] [ 0.334604 0.5 0.244044 ] [ 0.244044 0.334604 0.5 ] [ 0.755956 0.665396 0.5 ] [ 0.334604 0.5 0.755956 ] [ 0.755956 0.334604 0.5 ] [ 0.665396 0.5 0.244044 ] [ 0.665396 0.5 0.755956 ] [ 0.244044 0.665396 0.5 ] [ 0.5 0.755956 0.665396 ] [ 0.5 0.244044 0.665396 ] [ 0.5 0.755956 0.334604 ] [ 0.771886 0 0 ] [ 0 0.771886 0 ] [ 0 0 0.228114 ] [ 0 0.228114 0 ] [ 0.228114 0 0 ] [ 0 0 0.771886 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.26392347 "source-unit" "angstrom" } }