{ "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 ] [ 0 0 0.5 ] [ 0.717152 0 0.75 ] [ 0 0.282848 0.25 ] [ 0.282848 0 0.25 ] [ 0 0.717152 0.75 ] [ 0.717152 0.717152 0.25 ] [ 0.282848 0.282848 0.75 ] ] } "species" { "source-value" [ "Ti" "Ti" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" 6.87092037011 "source-unit" "angstrom" } "c" { "source-value" 5.71552071 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.97029145875 "source-unit" "eV" } }