{ "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 0.25 0.75 ] [ 0.75 0.25 0 ] [ 0 0 0.5 ] [ 0.75 0 0.25 ] [ 0 0.75 0.25 ] [ 0.75 0.75 0.5 ] [ 0 0.5 0 ] [ 0.75 0.5 0.75 ] [ 0.5 0.25 0.25 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0 ] [ 0.25 0 0.75 ] [ 0.5 0.75 0.75 ] [ 0.25 0.75 0 ] [ 0.5 0.5 0.5 ] [ 0.25 0.5 0.25 ] [ 0.375 0.875 0.375 ] [ 0.125 0.125 0.125 ] [ 0.375 0.375 0.875 ] [ 0.125 0.625 0.625 ] [ 0.875 0.875 0.875 ] [ 0.625 0.125 0.625 ] [ 0.875 0.375 0.375 ] [ 0.625 0.625 0.125 ] [ 0.981544 0.768456 0.481544 ] [ 0.231544 0.231544 0.731544 ] [ 0.231544 0.018456 0.518456 ] [ 0.518456 0.018456 0.231544 ] [ 0.268456 0.981544 0.981544 ] [ 0.981544 0.981544 0.268456 ] [ 0.518456 0.231544 0.018456 ] [ 0.268456 0.768456 0.768456 ] [ 0.981544 0.268456 0.981544 ] [ 0.231544 0.731544 0.231544 ] [ 0.231544 0.518456 0.018456 ] [ 0.518456 0.518456 0.731544 ] [ 0.268456 0.481544 0.481544 ] [ 0.981544 0.481544 0.768456 ] [ 0.518456 0.731544 0.518456 ] [ 0.268456 0.268456 0.268456 ] [ 0.481544 0.768456 0.981544 ] [ 0.731544 0.231544 0.231544 ] [ 0.731544 0.018456 0.018456 ] [ 0.018456 0.018456 0.731544 ] [ 0.768456 0.981544 0.481544 ] [ 0.481544 0.981544 0.768456 ] [ 0.018456 0.231544 0.518456 ] [ 0.768456 0.768456 0.268456 ] [ 0.481544 0.268456 0.481544 ] [ 0.731544 0.731544 0.731544 ] [ 0.731544 0.518456 0.518456 ] [ 0.018456 0.518456 0.231544 ] [ 0.768456 0.481544 0.981544 ] [ 0.481544 0.481544 0.268456 ] [ 0.018456 0.731544 0.018456 ] [ 0.768456 0.268456 0.768456 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "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" 8.77294611453 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.8725768035714285 "source-unit" "eV" } }