{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.925212 ] [ 0.333333 0.666667 0.074788 ] [ 0.333333 0.666667 0.425212 ] [ 0.666667 0.333333 0.574788 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.653086 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.346914 ] [ 0.333333 0.666667 0.846914 ] [ 0.666667 0.333333 0.153086 ] [ 0 0 0 ] [ 0 0 0.81294 ] [ 0 0 0.18706 ] [ 0 0 0.31294 ] [ 0 0 0.68706 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.65636411296 "source-unit" "angstrom" } "c" { "source-value" 23.78258618 "source-unit" "angstrom" } }