{ "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 0.25 ] [ 0.75 0.25 0 ] [ 0.5 0 0 ] [ 0.5 0.25 0.25 ] [ 0.75 0.5 0.75 ] [ 0.75 0.75 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0.75 0.75 ] [ 0.25 0 0.75 ] [ 0.25 0.25 0.5 ] [ 0 0 0.5 ] [ 0 0.25 0.75 ] [ 0.25 0.5 0.25 ] [ 0.25 0.75 0 ] [ 0 0.5 0 ] [ 0 0.75 0.25 ] [ 0.75 0 0.75 ] [ 0.75 0.75 0 ] [ 0 0 0 ] [ 0 0.75 0.75 ] [ 0.75 0.5 0.25 ] [ 0.75 0.25 0.5 ] [ 0 0.5 0.5 ] [ 0 0.25 0.25 ] [ 0.25 0 0.25 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.75 0.25 ] [ 0.25 0.5 0.75 ] [ 0.25 0.25 0 ] [ 0.5 0.5 0 ] [ 0.5 0.25 0.75 ] [ 0.625 0.125 0.125 ] [ 0.375 0.375 0.375 ] [ 0.125 0.837009 0.625 ] [ 0.875 0.087009 0.875 ] [ 0.125 0.625 0.837009 ] [ 0.912991 0.625 0.625 ] [ 0.337009 0.625 0.625 ] [ 0.125 0.625 0.412991 ] [ 0.125 0.412991 0.625 ] [ 0.662991 0.875 0.875 ] [ 0.087009 0.875 0.875 ] [ 0.875 0.662991 0.875 ] [ 0.875 0.875 0.087009 ] [ 0.875 0.875 0.662991 ] [ 0.625 0.625 0.625 ] [ 0.375 0.875 0.875 ] [ 0.125 0.337009 0.125 ] [ 0.875 0.587009 0.375 ] [ 0.125 0.125 0.337009 ] [ 0.912991 0.125 0.125 ] [ 0.337009 0.125 0.125 ] [ 0.125 0.125 0.912991 ] [ 0.125 0.912991 0.125 ] [ 0.662991 0.375 0.375 ] [ 0.087009 0.375 0.375 ] [ 0.875 0.162991 0.375 ] [ 0.875 0.375 0.587009 ] [ 0.875 0.375 0.162991 ] [ 0.125 0.125 0.625 ] [ 0.875 0.375 0.875 ] [ 0.625 0.837009 0.125 ] [ 0.375 0.087009 0.375 ] [ 0.625 0.625 0.337009 ] [ 0.412991 0.625 0.125 ] [ 0.837009 0.625 0.125 ] [ 0.625 0.625 0.912991 ] [ 0.625 0.412991 0.125 ] [ 0.162991 0.875 0.375 ] [ 0.587009 0.875 0.375 ] [ 0.375 0.662991 0.375 ] [ 0.375 0.875 0.587009 ] [ 0.375 0.875 0.162991 ] [ 0.125 0.625 0.125 ] [ 0.875 0.875 0.375 ] [ 0.625 0.337009 0.625 ] [ 0.375 0.587009 0.875 ] [ 0.625 0.125 0.837009 ] [ 0.412991 0.125 0.625 ] [ 0.837009 0.125 0.625 ] [ 0.625 0.125 0.412991 ] [ 0.625 0.912991 0.625 ] [ 0.162991 0.375 0.875 ] [ 0.587009 0.375 0.875 ] [ 0.375 0.162991 0.875 ] [ 0.375 0.375 0.087009 ] [ 0.375 0.375 0.662991 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "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" 10.5875468605 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.994510040909091 "source-unit" "eV" } }