{ "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 0.5 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0 0 0 ] [ 0.173731 0.826269 0.75 ] [ 0.652537 0.826269 0.75 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.826269 0.652537 0.25 ] [ 0.347463 0.173731 0.25 ] [ 0.173731 0.347463 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.826269 0.173731 0.25 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.92759110858 "source-unit" "angstrom" } "c" { "source-value" 9.95798969 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.687833363125 "source-unit" "eV" } }