{ "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" [ [ 0.158034 0.841966 0.75 ] [ 0.683932 0.841966 0.75 ] [ 0.158034 0.316068 0.75 ] [ 0.841966 0.158034 0.25 ] [ 0.316068 0.158034 0.25 ] [ 0.841966 0.683932 0.25 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Bi" "Bi" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 6.0029449 "source-unit" "angstrom" } "c" { "source-value" 4.82614786 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.98169708125 "source-unit" "eV" } }