{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.085294 ] [ 0.666667 0.333333 0.585294 ] [ 0.666667 0.333333 0.914706 ] [ 0.333333 0.666667 0.414706 ] [ 0.507549 0.015097 0.25 ] [ 0.492451 0.507549 0.75 ] [ 0.015097 0.507549 0.75 ] [ 0.984903 0.492451 0.25 ] [ 0.507549 0.492451 0.25 ] [ 0.492451 0.984903 0.75 ] [ 0.168614 0.337228 0.58255 ] [ 0.831386 0.168614 0.08255 ] [ 0.337228 0.168614 0.08255 ] [ 0.662772 0.831386 0.58255 ] [ 0.168614 0.831386 0.58255 ] [ 0.831386 0.662772 0.41745 ] [ 0.831386 0.168614 0.41745 ] [ 0.831386 0.662772 0.08255 ] [ 0.337228 0.168614 0.41745 ] [ 0.662772 0.831386 0.91745 ] [ 0.168614 0.337228 0.91745 ] [ 0.168614 0.831386 0.91745 ] ] } "species" { "source-value" [ "Pu" "Pu" "Pu" "Pu" "Pu" "Pu" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.98872820606 "source-unit" "angstrom" } "c" { "source-value" 14.4405713 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.359768683333333 "source-unit" "eV" } }