{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.5 0.75 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0.5 ] [ 0 0.75 0.75 ] [ 0.25 0 0.25 ] [ 0 0 0 ] [ 0.25 0.25 0 ] [ 0 0.25 0.25 ] [ 0.75 0.5 0.25 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0 ] [ 0.5 0.75 0.25 ] [ 0.75 0 0.75 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.5 ] [ 0.5 0.25 0.75 ] [ 0.75 0.5 0.75 ] [ 0 0.5 0 ] [ 0.75 0.75 0.5 ] [ 0 0.75 0.25 ] [ 0.75 0 0.25 ] [ 0 0 0.5 ] [ 0.75 0.25 0 ] [ 0 0.25 0.75 ] [ 0.25 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0 ] [ 0.5 0.75 0.75 ] [ 0.25 0 0.75 ] [ 0.5 0 0 ] [ 0.25 0.25 0.5 ] [ 0.5 0.25 0.25 ] [ 0.875 0.875 0.375 ] [ 0.125 0.625 0.125 ] [ 0.067633 0.875 0.875 ] [ 0.817633 0.625 0.125 ] [ 0.875 0.875 0.682367 ] [ 0.875 0.682367 0.875 ] [ 0.375 0.567633 0.875 ] [ 0.375 0.875 0.567633 ] [ 0.182367 0.875 0.375 ] [ 0.625 0.932367 0.625 ] [ 0.125 0.817633 0.625 ] [ 0.932367 0.625 0.625 ] [ 0.625 0.625 0.932367 ] [ 0.125 0.625 0.817633 ] [ 0.875 0.375 0.875 ] [ 0.125 0.125 0.625 ] [ 0.067633 0.375 0.375 ] [ 0.817633 0.125 0.625 ] [ 0.875 0.375 0.182367 ] [ 0.875 0.182367 0.375 ] [ 0.375 0.067633 0.375 ] [ 0.375 0.375 0.067633 ] [ 0.182367 0.375 0.875 ] [ 0.625 0.432367 0.125 ] [ 0.125 0.317633 0.125 ] [ 0.932367 0.125 0.125 ] [ 0.625 0.125 0.432367 ] [ 0.125 0.125 0.317633 ] [ 0.375 0.875 0.875 ] [ 0.625 0.625 0.625 ] [ 0.567633 0.875 0.375 ] [ 0.317633 0.625 0.625 ] [ 0.375 0.875 0.182367 ] [ 0.375 0.682367 0.375 ] [ 0.875 0.567633 0.375 ] [ 0.875 0.875 0.067633 ] [ 0.682367 0.875 0.875 ] [ 0.125 0.932367 0.125 ] [ 0.625 0.817633 0.125 ] [ 0.432367 0.625 0.125 ] [ 0.125 0.625 0.432367 ] [ 0.625 0.625 0.317633 ] [ 0.375 0.375 0.375 ] [ 0.625 0.125 0.125 ] [ 0.567633 0.375 0.875 ] [ 0.317633 0.125 0.125 ] [ 0.375 0.375 0.682367 ] [ 0.375 0.182367 0.875 ] [ 0.875 0.067633 0.875 ] [ 0.875 0.375 0.567633 ] [ 0.682367 0.375 0.375 ] [ 0.125 0.432367 0.625 ] [ 0.625 0.317633 0.625 ] [ 0.432367 0.125 0.625 ] [ 0.125 0.125 0.932367 ] [ 0.625 0.125 0.817633 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "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" "O" "O" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 10.5617835799 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.176784775000001 "source-unit" "eV" } }