{ "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/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.679865 0 0.75 ] [ 0 0.320135 0.25 ] [ 0.320135 0 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.320135 0.320135 0.75 ] [ 0 0.679865 0.75 ] [ 0.679865 0.679865 0.25 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0.622206 0 0.398744 ] [ 0.622206 0 0.101256 ] [ 0.377794 0 0.898744 ] [ 0.377794 0 0.601256 ] [ 0 0.377794 0.898744 ] [ 0 0.377794 0.601256 ] [ 0 0.622206 0.398744 ] [ 0 0.622206 0.101256 ] [ 0.377794 0.377794 0.398744 ] [ 0.377794 0.377794 0.101256 ] [ 0.622206 0.622206 0.898744 ] [ 0.622206 0.622206 0.601256 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.35289323 "source-unit" "angstrom" } "c" { "source-value" 11.02317838 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.225229491666666 "source-unit" "eV" } }