{ "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 0.057652 ] [ 0.333333 0.666667 0.942348 ] [ 0.333333 0.666667 0.557652 ] [ 0.666667 0.333333 0.442348 ] [ 0 0 0.158472 ] [ 0 0 0.341527 ] [ 0 0 0.841527 ] [ 0 0 0.658473 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.626756 ] [ 0.333333 0.666667 0.373244 ] [ 0 0 0.25 ] [ 0.333333 0.666667 0.126756 ] [ 0 0 0 ] [ 0.666667 0.333333 0.873244 ] [ 0 0 0.5 ] [ 0 0 0.75 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Al" "Al" "Al" "Al" "Al" "Al" "C" "C" "C" "C" "C" "C" "C" "C" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 3.3352986271 "source-unit" "angstrom" } "c" { "source-value" 22.16093632 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.056167585 "source-unit" "eV" } }