{ "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/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.169797 0.339594 0.75 ] [ 0.830203 0.169797 0.25 ] [ 0.830203 0.660406 0.25 ] [ 0.169797 0.830203 0.75 ] [ 0.660406 0.830203 0.75 ] [ 0.339594 0.169797 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ga" "Ga" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.69844795262 "source-unit" "angstrom" } "c" { "source-value" 4.65106222 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.001550715 "source-unit" "eV" } }