{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0.619186 0.880814 0.119186 ] [ 0.880814 0.119186 0.619186 ] [ 0.119186 0.619186 0.880814 ] [ 0.380814 0.380814 0.380814 ] [ 0.380814 0.119186 0.880814 ] [ 0.119186 0.880814 0.380814 ] [ 0.880814 0.380814 0.119186 ] [ 0.619186 0.619186 0.619186 ] [ 0.15717 0.34283 0.65717 ] [ 0.34283 0.65717 0.15717 ] [ 0.65717 0.15717 0.34283 ] [ 0.84283 0.84283 0.84283 ] [ 0.84283 0.65717 0.34283 ] [ 0.65717 0.34283 0.84283 ] [ 0.34283 0.84283 0.65717 ] [ 0.15717 0.15717 0.15717 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 6.52372159 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.310046803125 "source-unit" "eV" } }