{ "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 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.454008 ] [ 0.666667 0.333333 0.954008 ] [ 0.666667 0.333333 0.545992 ] [ 0.333333 0.666667 0.045992 ] ] } "species" { "source-value" [ "Ba" "Ba" "Tl" "Tl" "Tl" "Tl" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.3765217608 "source-unit" "angstrom" } "c" { "source-value" 8.67941313 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.604898121666667 "source-unit" "eV" } }