{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_322" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.945347 ] [ 0.666667 0.333333 0.554653 ] [ 0.333333 0.666667 0.445347 ] [ 0.333333 0.666667 0.054653 ] [ 0.333333 0.666667 0.25 ] [ 0 0 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0 0 0.75 ] [ 0.336113 0.064148 0.822314 ] [ 0.935852 0.271965 0.822314 ] [ 0.935852 0.663887 0.677686 ] [ 0.663887 0.728035 0.177686 ] [ 0.064148 0.336113 0.177686 ] [ 0.064148 0.728035 0.322314 ] [ 0.336113 0.271965 0.677686 ] [ 0.728035 0.064148 0.677686 ] [ 0.728035 0.663887 0.822314 ] [ 0.271965 0.935852 0.177686 ] [ 0.271965 0.336113 0.322314 ] [ 0.663887 0.935852 0.322314 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.40304118983 "source-unit" "angstrom" } "c" { "source-value" 16.24378231 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.433068822 "source-unit" "eV" } }