{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_122" } "basis-atom-coordinates" { "source-value" [ [ 0.481199 0.240599 0.583333 ] [ 0.240599 0.481199 0.75 ] [ 0.240599 0.759401 0.416667 ] [ 0.759401 0.240599 0.916667 ] [ 0.759401 0.518801 0.25 ] [ 0.518801 0.759401 0.083333 ] [ 0.536063 0.31211 0.995702 ] [ 0.68789 0.223953 0.329035 ] [ 0.776047 0.463937 0.662368 ] [ 0.223953 0.536063 0.162368 ] [ 0.31211 0.536063 0.337632 ] [ 0.463937 0.68789 0.495702 ] [ 0 0.16733 0.833333 ] [ 0.83267 0 0 ] [ 0.16733 0.16733 0.666667 ] [ 0.83267 0.83267 0.166667 ] [ 0.16733 0 0.5 ] [ 0 0.83267 0.333333 ] [ 0.68789 0.463937 0.837632 ] [ 0.223953 0.68789 0.004298 ] [ 0.463937 0.776047 0.670965 ] [ 0.536063 0.223953 0.170965 ] [ 0.776047 0.31211 0.504298 ] [ 0.31211 0.776047 0.829035 ] ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 5.32364251 "source-unit" "angstrom" } "c" { "source-value" 16.61694623 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.2166462912499996 "source-unit" "eV" } }