{ "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" [ [ 0.163923 0.327847 0.75 ] [ 0.836077 0.163923 0.25 ] [ 0.836077 0.672153 0.25 ] [ 0.163923 0.836077 0.75 ] [ 0.672153 0.836077 0.75 ] [ 0.327847 0.163923 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Sn" "Sn" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.91584851359 "source-unit" "angstrom" } "c" { "source-value" 4.75978271 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.2212465675 "source-unit" "eV" } }