{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Pn3" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.749243 0.924902 0.446079 ] [ 0.749243 0.575098 0.053921 ] [ 0.750757 0.924902 0.053921 ] [ 0.575098 0.053921 0.749243 ] [ 0.053921 0.750757 0.924902 ] [ 0.053921 0.749243 0.575098 ] [ 0.924902 0.446079 0.749243 ] [ 0.446079 0.749243 0.924902 ] [ 0.924902 0.053921 0.750757 ] [ 0.575098 0.446079 0.750757 ] [ 0.446079 0.750757 0.575098 ] [ 0.750757 0.575098 0.446079 ] [ 0.250757 0.075098 0.553921 ] [ 0.250757 0.424902 0.946079 ] [ 0.249243 0.075098 0.946079 ] [ 0.424902 0.946079 0.250757 ] [ 0.249243 0.424902 0.553921 ] [ 0.553921 0.249243 0.424902 ] [ 0.424902 0.553921 0.249243 ] [ 0.075098 0.946079 0.249243 ] [ 0.553921 0.250757 0.075098 ] [ 0.075098 0.553921 0.250757 ] [ 0.946079 0.250757 0.424902 ] [ 0.946079 0.249243 0.075098 ] ] } "species" { "source-value" [ "Ca" "Ca" "Cr" "Cr" "Cr" "Cr" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 7.56404164 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.32067170875 "source-unit" "eV" } }