{ "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" [ [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.671322 0.835661 0.25 ] [ 0.835661 0.164339 0.75 ] [ 0.164339 0.835661 0.25 ] [ 0.328678 0.164339 0.75 ] [ 0.164339 0.328678 0.25 ] [ 0.835661 0.671322 0.75 ] ] } "species" { "source-value" [ "Rb" "Rb" "Ti" "Ti" "Br" "Br" "Br" "Br" "Br" "Br" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.84374674605 "source-unit" "angstrom" } "c" { "source-value" 5.90817558 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.121207669 "source-unit" "eV" } }