{ "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" [ [ 0.333333 0.666667 0.895645 ] [ 0 0 0.994631 ] [ 0 0 0.494631 ] [ 0.666667 0.333333 0.395645 ] [ 0.333333 0.666667 0.4948 ] [ 0.666667 0.333333 0.9948 ] [ 0.170884 0.341768 0.215158 ] [ 0.658232 0.829116 0.215158 ] [ 0.170884 0.829116 0.215158 ] [ 0.829116 0.170884 0.715158 ] [ 0.341768 0.170884 0.715158 ] [ 0.829116 0.658232 0.715158 ] [ 0.168487 0.336975 0.595007 ] [ 0.480743 0.519257 0.342941 ] [ 0.333333 0.666667 0.104339 ] [ 0 0 0.306303 ] [ 0 0 0.806303 ] [ 0.663025 0.831513 0.595007 ] [ 0.038514 0.519257 0.342941 ] [ 0.480743 0.961486 0.342941 ] [ 0.831513 0.168487 0.095007 ] [ 0.168487 0.831513 0.595007 ] [ 0.519257 0.038514 0.842941 ] [ 0.961486 0.480743 0.842941 ] [ 0.666667 0.333333 0.604339 ] [ 0.336975 0.168487 0.095007 ] [ 0.519257 0.480743 0.842941 ] [ 0.831513 0.663025 0.095007 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.92918827 "source-unit" "angstrom" } "c" { "source-value" 9.58573608 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.7385734025 "source-unit" "eV" } }