{ "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 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.118529 0.881471 0.416425 ] [ 0.762942 0.881471 0.416425 ] [ 0.118529 0.237058 0.416425 ] [ 0.881471 0.762942 0.916425 ] [ 0.762942 0.881471 0.083575 ] [ 0.881471 0.762942 0.583575 ] [ 0.881471 0.118529 0.583575 ] [ 0.118529 0.881471 0.083575 ] [ 0.118529 0.237058 0.083575 ] [ 0.881471 0.118529 0.916425 ] [ 0.237058 0.118529 0.916425 ] [ 0.237058 0.118529 0.583575 ] [ 0.808108 0.616215 0.862874 ] [ 0.191892 0.383785 0.362874 ] [ 0.616215 0.808108 0.362874 ] [ 0.191892 0.808108 0.362874 ] [ 0.616215 0.808108 0.137126 ] [ 0.808108 0.616215 0.637126 ] [ 0.808108 0.191892 0.637126 ] [ 0.191892 0.808108 0.137126 ] [ 0.191892 0.383785 0.137126 ] [ 0.808108 0.191892 0.862874 ] [ 0.383785 0.191892 0.862874 ] [ 0.383785 0.191892 0.637126 ] ] } "species" { "source-value" [ "Er" "Er" "Co" "Co" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 7.40329146174 "source-unit" "angstrom" } "c" { "source-value" 12.99997655 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 8.447227493571429 "source-unit" "eV" } }