{ "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 0 0.342692 ] [ 0 0 0.842692 ] [ 0 0 0.657308 ] [ 0 0 0.157308 ] [ 0.333333 0.666667 0.444818 ] [ 0.666667 0.333333 0.944818 ] [ 0.666667 0.333333 0.555182 ] [ 0.333333 0.666667 0.055182 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.391972 ] [ 0.333333 0.666667 0.891972 ] [ 0.333333 0.666667 0.608028 ] [ 0 0 0 ] [ 0.666667 0.333333 0.108028 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Al" "Al" "C" "C" "C" "C" "C" "C" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 3.14190211908 "source-unit" "angstrom" } "c" { "source-value" 24.25619446 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 10.429778875 "source-unit" "eV" } }