{ "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" [ [ 0.5 0.75 0.875 ] [ 0.75 0.125 0 ] [ 0.75 0.875 0.5 ] [ 0.875 0.5 0.75 ] [ 0.125 0 0.75 ] [ 0 0.75 0.125 ] [ 0 0.25 0.375 ] [ 0.25 0.625 0.5 ] [ 0.25 0.375 0 ] [ 0.375 0 0.25 ] [ 0.625 0.5 0.25 ] [ 0.5 0.25 0.625 ] [ 0.875 0 0.25 ] [ 0.5 0.25 0.125 ] [ 0 0.25 0.875 ] [ 0.25 0.875 0 ] [ 0.25 0.125 0.5 ] [ 0.125 0.5 0.25 ] [ 0.375 0.5 0.75 ] [ 0 0.75 0.625 ] [ 0.5 0.75 0.375 ] [ 0.75 0.375 0.5 ] [ 0.75 0.625 0 ] [ 0.625 0 0.75 ] [ 0.420373 0.920373 0.579627 ] [ 0.670373 0.829627 0.170373 ] [ 0.829627 0.170373 0.670373 ] [ 0.829627 0.829627 0.829627 ] [ 0.079627 0.079627 0.079627 ] [ 0.920373 0.579627 0.420373 ] [ 0.579627 0.420373 0.920373 ] [ 0.170373 0.670373 0.829627 ] [ 0.920373 0.420373 0.079627 ] [ 0.170373 0.329627 0.670373 ] [ 0.329627 0.670373 0.170373 ] [ 0.329627 0.329627 0.329627 ] [ 0.579627 0.579627 0.579627 ] [ 0.420373 0.079627 0.920373 ] [ 0.079627 0.920373 0.420373 ] [ 0.670373 0.170373 0.329627 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "a" { "source-value" 9.60539576568 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.727715388999999 "source-unit" "eV" } }