{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.156306 0.5 0.156306 ] [ 0.343694 0.656306 0 ] [ 0.343694 0 0.656306 ] [ 0.156306 0.156306 0.5 ] [ 0 0.343694 0.656306 ] [ 0 0.656306 0.343694 ] [ 0.656306 0.343694 0 ] [ 0.843694 0.843694 0.5 ] [ 0.843694 0.5 0.843694 ] [ 0.656306 0 0.343694 ] [ 0.5 0.843694 0.843694 ] [ 0.5 0.156306 0.156306 ] [ 0.5 0.5 0.5 ] [ 0.656306 0 0.656306 ] [ 0.843694 0.156306 0.5 ] [ 0.843694 0.5 0.156306 ] [ 0.656306 0.656306 0 ] [ 0.5 0.843694 0.156306 ] [ 0.5 0.156306 0.843694 ] [ 0.156306 0.843694 0.5 ] [ 0.343694 0.343694 0 ] [ 0.343694 0 0.343694 ] [ 0.156306 0.5 0.843694 ] [ 0 0.343694 0.343694 ] [ 0 0.656306 0.656306 ] [ 0.829154 0.829154 0.170846 ] [ 0.829154 0.829154 0.829154 ] [ 0.829154 0.170846 0.829154 ] [ 0.170846 0.170846 0.829154 ] [ 0.170846 0.829154 0.170846 ] [ 0.829154 0.170846 0.170846 ] [ 0.170846 0.170846 0.170846 ] [ 0.699953 0 0 ] [ 0 0 0.300047 ] [ 0 0 0.699953 ] [ 0 0.699953 0 ] [ 0 0.300047 0 ] [ 0.300047 0 0 ] [ 0.170846 0.829154 0.829154 ] [ 0.329154 0.329154 0.670846 ] [ 0.329154 0.329154 0.329154 ] [ 0.329154 0.670846 0.329154 ] [ 0.670846 0.670846 0.329154 ] [ 0.670846 0.329154 0.670846 ] [ 0.329154 0.670846 0.670846 ] [ 0.670846 0.670846 0.670846 ] [ 0.199953 0.5 0.5 ] [ 0.5 0.5 0.800047 ] [ 0.5 0.5 0.199953 ] [ 0.5 0.199953 0.5 ] [ 0.5 0.800047 0.5 ] [ 0.800047 0.5 0.5 ] [ 0.670846 0.329154 0.329154 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "short-name" { "source-value" [ "bcc" ] } "a" { "source-value" 10.1973212819 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.648965773703704 "source-unit" "eV" } }