{ "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" [ [ 0.918718 0.081282 0.581282 ] [ 0.168718 0.168718 0.831282 ] [ 0.831282 0.168718 0.168718 ] [ 0.918718 0.418718 0.918718 ] [ 0.668718 0.331282 0.168718 ] [ 0.081282 0.918718 0.581282 ] [ 0.831282 0.831282 0.831282 ] [ 0.581282 0.081282 0.918718 ] [ 0.918718 0.581282 0.081282 ] [ 0.168718 0.668718 0.331282 ] [ 0.831282 0.668718 0.668718 ] [ 0.918718 0.918718 0.418718 ] [ 0.668718 0.831282 0.668718 ] [ 0.081282 0.418718 0.081282 ] [ 0.831282 0.331282 0.331282 ] [ 0.581282 0.581282 0.418718 ] [ 0.418718 0.081282 0.081282 ] [ 0.668718 0.168718 0.331282 ] [ 0.331282 0.168718 0.668718 ] [ 0.418718 0.418718 0.418718 ] [ 0.168718 0.331282 0.668718 ] [ 0.581282 0.918718 0.081282 ] [ 0.331282 0.831282 0.331282 ] [ 0.081282 0.081282 0.418718 ] [ 0.418718 0.581282 0.581282 ] [ 0.668718 0.668718 0.831282 ] [ 0.331282 0.668718 0.168718 ] [ 0.418718 0.918718 0.918718 ] [ 0.168718 0.831282 0.168718 ] [ 0.581282 0.418718 0.581282 ] [ 0.331282 0.331282 0.831282 ] [ 0.081282 0.581282 0.918718 ] [ 0.625 0.125 0.125 ] [ 0.75 0.25 0.93883 ] [ 0.06117 0.75 0.75 ] [ 0.5 0.5 0.18883 ] [ 0.25 0.93883 0.75 ] [ 0 0 0.81117 ] [ 0.81117 0 0 ] [ 0.75 0.06117 0.75 ] [ 0.68883 0.5 0 ] [ 0.875 0.375 0.125 ] [ 0.93883 0.25 0.75 ] [ 0.25 0.75 0.56117 ] [ 0.375 0.625 0.375 ] [ 0.5 0.31117 0 ] [ 0 0.18883 0 ] [ 0.625 0.875 0.875 ] [ 0.625 0.625 0.625 ] [ 0.75 0.75 0.43883 ] [ 0.06117 0.25 0.25 ] [ 0.5 0 0.68883 ] [ 0.25 0.43883 0.25 ] [ 0 0.5 0.31117 ] [ 0.81117 0.5 0.5 ] [ 0.75 0.56117 0.25 ] [ 0.68883 0 0.5 ] [ 0.875 0.875 0.625 ] [ 0.93883 0.75 0.25 ] [ 0.25 0.25 0.06117 ] [ 0.375 0.125 0.875 ] [ 0.5 0.81117 0.5 ] [ 0 0.68883 0.5 ] [ 0.625 0.375 0.375 ] [ 0.125 0.125 0.625 ] [ 0.25 0.25 0.43883 ] [ 0.56117 0.75 0.25 ] [ 0 0.5 0.68883 ] [ 0.75 0.93883 0.25 ] [ 0.5 0 0.31117 ] [ 0.31117 0 0.5 ] [ 0.25 0.06117 0.25 ] [ 0.18883 0.5 0.5 ] [ 0.375 0.375 0.625 ] [ 0.43883 0.25 0.25 ] [ 0.75 0.75 0.06117 ] [ 0.875 0.625 0.875 ] [ 0 0.31117 0.5 ] [ 0.5 0.18883 0.5 ] [ 0.125 0.875 0.375 ] [ 0.125 0.625 0.125 ] [ 0.25 0.75 0.93883 ] [ 0.56117 0.25 0.75 ] [ 0 0 0.18883 ] [ 0.75 0.43883 0.75 ] [ 0.5 0.5 0.81117 ] [ 0.31117 0.5 0 ] [ 0.25 0.56117 0.75 ] [ 0.18883 0 0 ] [ 0.375 0.875 0.125 ] [ 0.43883 0.75 0.75 ] [ 0.75 0.25 0.56117 ] [ 0.875 0.125 0.375 ] [ 0 0.81117 0 ] [ 0.5 0.68883 0 ] [ 0.125 0.375 0.875 ] [ 0.125 0.875 0.875 ] [ 0.875 0.375 0.625 ] [ 0.625 0.125 0.625 ] [ 0.875 0.125 0.875 ] [ 0.125 0.375 0.375 ] [ 0.875 0.875 0.125 ] [ 0.625 0.625 0.125 ] [ 0.875 0.625 0.375 ] [ 0.625 0.875 0.375 ] [ 0.375 0.375 0.125 ] [ 0.125 0.125 0.125 ] [ 0.375 0.125 0.375 ] [ 0.625 0.375 0.875 ] [ 0.375 0.875 0.625 ] [ 0.125 0.625 0.625 ] [ 0.375 0.625 0.875 ] ] } "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" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 11.33631726 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 9.935446077857142 "source-unit" "eV" } }