{ "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" [ [ 0.625 0.125 0.125 ] [ 0.875 0.375 0.875 ] [ 0.625 0.625 0.625 ] [ 0.875 0.875 0.375 ] [ 0.125 0.125 0.625 ] [ 0.375 0.375 0.375 ] [ 0.125 0.625 0.125 ] [ 0.375 0.875 0.875 ] [ 0.5 0.25 0.75 ] [ 0.25 0.25 0 ] [ 0.75 0 0.75 ] [ 0 0 0 ] [ 0.5 0.75 0.25 ] [ 0.25 0.75 0.5 ] [ 0.75 0.5 0.25 ] [ 0 0.5 0.5 ] [ 0 0.25 0.25 ] [ 0.75 0.25 0.5 ] [ 0.25 0 0.25 ] [ 0.5 0 0.5 ] [ 0 0.75 0.75 ] [ 0.75 0.75 0 ] [ 0.25 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.49048 0.49048 0.75952 ] [ 0.24048 0.00952 0.00952 ] [ 0.74048 0.24048 0.74048 ] [ 0.00952 0.24048 0.00952 ] [ 0.75952 0.25952 0.25952 ] [ 0.49048 0.25952 0.99048 ] [ 0.00952 0.00952 0.24048 ] [ 0.25952 0.49048 0.99048 ] [ 0.49048 0.99048 0.25952 ] [ 0.24048 0.50952 0.50952 ] [ 0.74048 0.74048 0.24048 ] [ 0.00952 0.74048 0.50952 ] [ 0.75952 0.75952 0.75952 ] [ 0.49048 0.75952 0.49048 ] [ 0.00952 0.50952 0.74048 ] [ 0.25952 0.99048 0.49048 ] [ 0.99048 0.49048 0.25952 ] [ 0.74048 0.00952 0.50952 ] [ 0.24048 0.24048 0.24048 ] [ 0.50952 0.24048 0.50952 ] [ 0.25952 0.25952 0.75952 ] [ 0.99048 0.25952 0.49048 ] [ 0.50952 0.00952 0.74048 ] [ 0.75952 0.49048 0.49048 ] [ 0.99048 0.99048 0.75952 ] [ 0.74048 0.50952 0.00952 ] [ 0.24048 0.74048 0.74048 ] [ 0.50952 0.74048 0.00952 ] [ 0.25952 0.75952 0.25952 ] [ 0.99048 0.75952 0.99048 ] [ 0.50952 0.50952 0.24048 ] [ 0.75952 0.99048 0.99048 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "In" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 11.5765066611 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.452196125 "source-unit" "eV" } }