{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.759637 ] [ 0.333333 0.666667 0.259637 ] [ 0.666667 0.333333 0.500288 ] [ 0.333333 0.666667 0.000288 ] [ 0.666667 0.333333 0.116861 ] [ 0 0 0.882154 ] [ 0 0 0.382154 ] [ 0.333333 0.666667 0.616861 ] ] } "species" { "source-value" [ "Li" "Li" "Ti" "Ti" "O" "O" "O" "O" ] } "a" { "source-value" 2.90050775 "source-unit" "angstrom" } "c" { "source-value" 10.25177516 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.5077567975 "source-unit" "eV" } }