{ "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" [ [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0 0 0 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.109585 0.147383 0.940482 ] [ 0.352617 0.940482 0.890415 ] [ 0.559518 0.890415 0.647383 ] [ 0.352617 0.059518 0.609585 ] [ 0.940482 0.890415 0.352617 ] [ 0.647383 0.559518 0.890415 ] [ 0.059518 0.609585 0.352617 ] [ 0.940482 0.109585 0.147383 ] [ 0.147383 0.940482 0.109585 ] [ 0.890415 0.352617 0.940482 ] [ 0.890415 0.647383 0.559518 ] [ 0.609585 0.352617 0.059518 ] [ 0.890415 0.852617 0.059518 ] [ 0.647383 0.059518 0.109585 ] [ 0.440482 0.109585 0.352617 ] [ 0.647383 0.940482 0.390415 ] [ 0.059518 0.109585 0.647383 ] [ 0.352617 0.440482 0.109585 ] [ 0.940482 0.390415 0.647383 ] [ 0.059518 0.890415 0.852617 ] [ 0.852617 0.059518 0.890415 ] [ 0.109585 0.647383 0.059518 ] [ 0.109585 0.352617 0.440482 ] [ 0.390415 0.647383 0.940482 ] [ 0.609585 0.647383 0.440482 ] [ 0.852617 0.440482 0.390415 ] [ 0.059518 0.390415 0.147383 ] [ 0.852617 0.559518 0.109585 ] [ 0.440482 0.390415 0.852617 ] [ 0.147383 0.059518 0.390415 ] [ 0.559518 0.109585 0.852617 ] [ 0.440482 0.609585 0.647383 ] [ 0.647383 0.440482 0.609585 ] [ 0.390415 0.852617 0.440482 ] [ 0.390415 0.147383 0.059518 ] [ 0.109585 0.852617 0.559518 ] [ 0.390415 0.352617 0.559518 ] [ 0.147383 0.559518 0.609585 ] [ 0.940482 0.609585 0.852617 ] [ 0.147383 0.440482 0.890415 ] [ 0.559518 0.609585 0.147383 ] [ 0.852617 0.940482 0.609585 ] [ 0.440482 0.890415 0.147383 ] [ 0.559518 0.390415 0.352617 ] [ 0.352617 0.559518 0.390415 ] [ 0.609585 0.147383 0.559518 ] [ 0.609585 0.852617 0.940482 ] [ 0.890415 0.147383 0.440482 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 10.6140791254 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.238548043125 "source-unit" "eV" } }