{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P31m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.646214 0.211357 ] [ 0.646214 0 0.211357 ] [ 0.353786 0.353786 0.211357 ] [ 0.3114 0 0.917391 ] [ 0.6886 0.6886 0.917391 ] [ 0 0.3114 0.917391 ] [ 0.333333 0.666667 0.497883 ] [ 0 0 0.648148 ] [ 0.666667 0.333333 0.497883 ] [ 0 0.641997 0.711248 ] [ 0.641997 0 0.711248 ] [ 0.358003 0.358003 0.711248 ] [ 0.311772 0 0.419708 ] [ 0.688228 0.688228 0.419708 ] [ 0 0.311772 0.419708 ] [ 0.333333 0.666667 0.986768 ] [ 0 0 0.161801 ] [ 0.666667 0.333333 0.986768 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" 8.22227110996 "source-unit" "angstrom" } "c" { "source-value" 6.03313254 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.275326287222222 "source-unit" "eV" } }