{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Ia3" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.961939 0 ] [ 0.038061 0.5 0.25 ] [ 0.25 0.538061 0.5 ] [ 0 0.75 0.038061 ] [ 0.75 0.961939 0.5 ] [ 0.5 0.75 0.461939 ] [ 0 0.75 0.538061 ] [ 0.5 0.75 0.961939 ] [ 0.25 0.75 0.75 ] [ 0.75 0.538061 0 ] [ 0.961939 0 0.25 ] [ 0.538061 0.5 0.25 ] [ 0.461939 0 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.75 0.461939 0.5 ] [ 0.538061 0 0.75 ] [ 0.75 0.038061 0 ] [ 0.5 0.25 0.538061 ] [ 0.25 0.461939 0 ] [ 0 0.25 0.961939 ] [ 0.5 0.25 0.038061 ] [ 0 0.25 0.461939 ] [ 0.75 0.25 0.25 ] [ 0.25 0.038061 0.5 ] [ 0.461939 0.5 0.75 ] [ 0.038061 0 0.75 ] [ 0.961939 0.5 0.75 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.116259 0.890239 0.157323 ] [ 0.157323 0.616259 0.109761 ] [ 0.609761 0.657323 0.116259 ] [ 0.157323 0.116259 0.890239 ] [ 0.109761 0.657323 0.383741 ] [ 0.890239 0.157323 0.116259 ] [ 0.109761 0.342677 0.116259 ] [ 0.157323 0.383741 0.390239 ] [ 0.390239 0.842677 0.116259 ] [ 0.342677 0.616259 0.890239 ] [ 0.383741 0.390239 0.157323 ] [ 0.116259 0.390239 0.842677 ] [ 0.342677 0.383741 0.609761 ] [ 0.383741 0.109761 0.657323 ] [ 0.342677 0.883741 0.390239 ] [ 0.390239 0.157323 0.383741 ] [ 0.342677 0.116259 0.109761 ] [ 0.157323 0.883741 0.609761 ] [ 0.116259 0.109761 0.342677 ] [ 0.116259 0.609761 0.657323 ] [ 0.609761 0.342677 0.383741 ] [ 0.383741 0.890239 0.842677 ] [ 0.383741 0.609761 0.342677 ] [ 0.890239 0.842677 0.383741 ] [ 0.616259 0.390239 0.657323 ] [ 0.657323 0.116259 0.609761 ] [ 0.109761 0.157323 0.616259 ] [ 0.657323 0.616259 0.390239 ] [ 0.609761 0.157323 0.883741 ] [ 0.390239 0.657323 0.616259 ] [ 0.609761 0.842677 0.616259 ] [ 0.657323 0.883741 0.890239 ] [ 0.890239 0.342677 0.616259 ] [ 0.842677 0.116259 0.390239 ] [ 0.883741 0.890239 0.657323 ] [ 0.616259 0.890239 0.342677 ] [ 0.842677 0.883741 0.109761 ] [ 0.883741 0.609761 0.157323 ] [ 0.842677 0.383741 0.890239 ] [ 0.890239 0.657323 0.883741 ] [ 0.842677 0.616259 0.609761 ] [ 0.657323 0.383741 0.109761 ] [ 0.616259 0.609761 0.842677 ] [ 0.616259 0.109761 0.157323 ] [ 0.109761 0.842677 0.883741 ] [ 0.883741 0.390239 0.342677 ] [ 0.883741 0.109761 0.842677 ] [ 0.390239 0.342677 0.883741 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 9.55611469 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.67517879775 "source-unit" "eV" } }