{ "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" [ [ 0.75 0.75 0.25 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.75 ] [ 0 0 0 ] [ 0.25 0.25 0.25 ] [ 0 0.5 0.5 ] [ 0.625 0.875 0.875 ] [ 0.375 0.125 0.875 ] [ 0.625 0.125 0.125 ] [ 0.375 0.875 0.125 ] [ 0.625 0.375 0.375 ] [ 0.375 0.625 0.375 ] [ 0.625 0.625 0.625 ] [ 0.375 0.375 0.625 ] [ 0.125 0.875 0.375 ] [ 0.875 0.125 0.375 ] [ 0.125 0.125 0.625 ] [ 0.875 0.875 0.625 ] [ 0.125 0.375 0.875 ] [ 0.875 0.625 0.875 ] [ 0.125 0.625 0.125 ] [ 0.875 0.375 0.125 ] [ 0.75 0.75 0.563675 ] [ 0 0.686325 0 ] [ 0.5 0 0.813675 ] [ 0.563675 0.75 0.75 ] [ 0.75 0.936325 0.75 ] [ 0.936325 0.75 0.75 ] [ 0.5 0.813675 0 ] [ 0.686325 0 0 ] [ 0.313675 0 0 ] [ 0.75 0.75 0.936325 ] [ 0.25 0.063675 0.75 ] [ 0.5 0 0.186325 ] [ 0.75 0.25 0.063675 ] [ 0 0.186325 0.5 ] [ 0.5 0.5 0.313675 ] [ 0.563675 0.25 0.25 ] [ 0.75 0.436325 0.25 ] [ 0.936325 0.25 0.25 ] [ 0.5 0.313675 0.5 ] [ 0.686325 0.5 0.5 ] [ 0.313675 0.5 0.5 ] [ 0.75 0.25 0.436325 ] [ 0.25 0.563675 0.25 ] [ 0.5 0.5 0.686325 ] [ 0.25 0.75 0.063675 ] [ 0.5 0.686325 0.5 ] [ 0 0 0.313675 ] [ 0.063675 0.75 0.25 ] [ 0.25 0.936325 0.25 ] [ 0.436325 0.75 0.25 ] [ 0 0.813675 0.5 ] [ 0.186325 0 0.5 ] [ 0.813675 0 0.5 ] [ 0.25 0.75 0.436325 ] [ 0.75 0.063675 0.25 ] [ 0 0 0.686325 ] [ 0.25 0.25 0.563675 ] [ 0.5 0.186325 0 ] [ 0 0.5 0.813675 ] [ 0.063675 0.25 0.75 ] [ 0.25 0.436325 0.75 ] [ 0.436325 0.25 0.75 ] [ 0 0.313675 0 ] [ 0.186325 0.5 0 ] [ 0.813675 0.5 0 ] [ 0.25 0.25 0.936325 ] [ 0.75 0.563675 0.75 ] [ 0 0.5 0.186325 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "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" 10.49562754 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.040532636111111 "source-unit" "eV" } }