{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0.862558 0 0 ] [ 0 0 0.862558 ] [ 0 0.137442 0 ] [ 0 0 0.137442 ] [ 0.137442 0 0 ] [ 0 0.862558 0 ] [ 0.862558 0.5 0.5 ] [ 0 0.5 0.362558 ] [ 0 0.637442 0.5 ] [ 0 0.5 0.637442 ] [ 0.137442 0.5 0.5 ] [ 0 0.362558 0.5 ] [ 0.362558 0 0.5 ] [ 0.5 0 0.362558 ] [ 0.5 0.137442 0.5 ] [ 0.5 0 0.637442 ] [ 0.637442 0 0.5 ] [ 0.5 0.862558 0.5 ] [ 0.362558 0.5 0 ] [ 0.5 0.5 0.862558 ] [ 0.5 0.637442 0 ] [ 0.5 0.5 0.137442 ] [ 0.637442 0.5 0 ] [ 0.5 0.362558 0 ] [ 0 0 0.726863 ] [ 0.726863 0 0 ] [ 0 0.273137 0 ] [ 0 0 0.273137 ] [ 0.273137 0 0 ] [ 0 0.726863 0 ] [ 0 0.5 0.226863 ] [ 0.726863 0.5 0.5 ] [ 0 0.773137 0.5 ] [ 0 0.5 0.773137 ] [ 0.273137 0.5 0.5 ] [ 0 0.226863 0.5 ] [ 0.5 0 0.226863 ] [ 0.226863 0 0.5 ] [ 0.5 0.273137 0.5 ] [ 0.5 0 0.773137 ] [ 0.773137 0 0.5 ] [ 0.5 0.726863 0.5 ] [ 0.5 0.5 0.726863 ] [ 0.226863 0.5 0 ] [ 0.5 0.773137 0 ] [ 0.5 0.5 0.273137 ] [ 0.773137 0.5 0 ] [ 0.5 0.226863 0 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 8.89985291993 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.7743076478571425 "source-unit" "eV" } }