{ "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 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.12251 ] [ 0.666667 0.333333 0.62251 ] [ 0.666667 0.333333 0.87749 ] [ 0.333333 0.666667 0.37749 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0 0 0.083361 ] [ 0 0 0.583361 ] [ 0 0 0.916639 ] [ 0 0 0.416639 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "B" "B" "N" "N" "N" "N" "N" "N" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 3.56421170028 "source-unit" "angstrom" } "c" { "source-value" 16.16055036 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.084191848571429 "source-unit" "eV" } }