{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.387304 0 0.75 ] [ 0.387304 0.387304 0.25 ] [ 0 0.612696 0.25 ] [ 0 0.387304 0.75 ] [ 0.612696 0.612696 0.75 ] [ 0.612696 0 0.25 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.730026 0 0.75 ] [ 0.730026 0.730026 0.25 ] [ 0 0.269974 0.25 ] [ 0 0.730026 0.75 ] [ 0.269974 0 0.25 ] [ 0.269974 0.269974 0.75 ] ] } "species" { "source-value" [ "Hf" "Hf" "U" "U" "U" "U" "U" "U" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "a" { "source-value" 9.2297686429 "source-unit" "angstrom" } "c" { "source-value" 6.18156797 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.552341268333333 "source-unit" "eV" } }