{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_322" } "basis-atom-coordinates" { "source-value" [ [ 0.66156 0 0 ] [ 0 0.66156 0 ] [ 0.66156 0.66156 0.5 ] [ 0 0 0.75 ] [ 0.33844 0 0.5 ] [ 0.666667 0.333333 0.25 ] [ 0.33844 0.33844 0 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0 0.33844 0.5 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Mo" "Mo" ] } "a" { "source-value" 4.91853298561 "source-unit" "angstrom" } "c" { "source-value" 8.87569832 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.171676556666667 "source-unit" "eV" } }