{ "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" [ [ 0.333333 0.666667 0.436319 ] [ 0.666667 0.333333 0.936319 ] [ 0.666667 0.333333 0.563681 ] [ 0.333333 0.666667 0.063681 ] [ 0.170569 0.341139 0.75 ] [ 0.829431 0.170569 0.25 ] [ 0.341139 0.170569 0.25 ] [ 0.658861 0.829431 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.829431 0.658861 0.25 ] [ 0.170569 0.829431 0.75 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.24810955965 "source-unit" "angstrom" } "c" { "source-value" 8.72715252 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.260156188333333 "source-unit" "eV" } }