{ "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 0.373246 ] [ 0.333333 0.666667 0.873246 ] [ 0.333333 0.666667 0.626754 ] [ 0.666667 0.333333 0.126754 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.430732 ] [ 0.666667 0.333333 0.930732 ] [ 0.333333 0.666667 0.069268 ] [ 0.666667 0.333333 0.569268 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Al" "Al" "C" "C" "C" "C" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 3.08137451375 "source-unit" "angstrom" } "c" { "source-value" 18.67882315 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.411519795833334 "source-unit" "eV" } }