{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "I-43d" } "basis-atom-coordinates" { "source-value" [ [ 0.875 0.5 0.75 ] [ 0.75 0.875 0.5 ] [ 0.75 0.125 0 ] [ 0 0.75 0.125 ] [ 0.5 0.75 0.875 ] [ 0.125 0 0.75 ] [ 0.375 0 0.25 ] [ 0.25 0.375 0 ] [ 0.25 0.625 0.5 ] [ 0.5 0.25 0.625 ] [ 0 0.25 0.375 ] [ 0.625 0.5 0.25 ] [ 0.588789 0.411211 0.911211 ] [ 0.411211 0.911211 0.588789 ] [ 0.411211 0.088789 0.911211 ] [ 0.161211 0.661211 0.838789 ] [ 0.838789 0.838789 0.838789 ] [ 0.661211 0.838789 0.161211 ] [ 0.088789 0.088789 0.088789 ] [ 0.838789 0.161211 0.661211 ] [ 0.088789 0.911211 0.411211 ] [ 0.911211 0.411211 0.088789 ] [ 0.911211 0.588789 0.411211 ] [ 0.661211 0.161211 0.338789 ] [ 0.338789 0.338789 0.338789 ] [ 0.161211 0.338789 0.661211 ] [ 0.588789 0.588789 0.588789 ] [ 0.338789 0.661211 0.161211 ] [ 0.125 0.5 0.25 ] [ 0.5 0.25 0.125 ] [ 0.25 0.125 0.5 ] [ 0.25 0.875 0 ] [ 0.875 0 0.25 ] [ 0 0.25 0.875 ] [ 0.625 0 0.75 ] [ 0 0.75 0.625 ] [ 0.75 0.625 0 ] [ 0.75 0.375 0.5 ] [ 0.375 0.5 0.75 ] [ 0.5 0.75 0.375 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" 9.96376066018 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.395685041 "source-unit" "eV" } }