{ "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" [ [ 0.839531 0.160469 0.25 ] [ 0.839531 0.679061 0.25 ] [ 0.320939 0.160469 0.25 ] [ 0.160469 0.839531 0.75 ] [ 0.160469 0.320939 0.75 ] [ 0.679061 0.839531 0.75 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Pb" "Pb" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.99192267 "source-unit" "angstrom" } "c" { "source-value" 4.80536607 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.9102441525 "source-unit" "eV" } }