{ "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" [ [ 0.828599 0.657197 0.25 ] [ 0.342803 0.171401 0.25 ] [ 0.828599 0.171401 0.25 ] [ 0.171401 0.342803 0.75 ] [ 0.657197 0.828599 0.75 ] [ 0.171401 0.828599 0.75 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Al" "Al" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 6.31479918 "source-unit" "angstrom" } "c" { "source-value" 5.04770843 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.95399346375 "source-unit" "eV" } }