{ "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 0.602586 ] [ 0.333333 0.666667 0.397414 ] [ 0.333333 0.666667 0.102586 ] [ 0.666667 0.333333 0.897414 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Sb" "Sb" "P" "P" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 3.83972598336 "source-unit" "angstrom" } "c" { "source-value" 13.43268578 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.79216972625 "source-unit" "eV" } }