{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3cm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.792183 ] [ 0 0 0.292183 ] [ 0.666667 0.333333 0.22834 ] [ 0.333333 0.666667 0.72834 ] [ 0.666667 0.333333 0.72834 ] [ 0.333333 0.666667 0.22834 ] [ 0.301135 0 0.580872 ] [ 0.301135 0.301135 0.080872 ] [ 0 0.698865 0.080872 ] [ 0 0.301135 0.580872 ] [ 0.698865 0.698865 0.580872 ] [ 0.698865 0 0.080872 ] [ 0.360966 0 0.920283 ] [ 0.360966 0.360966 0.420283 ] [ 0 0.639034 0.420283 ] [ 0 0.360966 0.920283 ] [ 0.639034 0.639034 0.920283 ] [ 0.639034 0 0.420283 ] [ 0.66891 0 0.750824 ] [ 0.66891 0.66891 0.250824 ] [ 0 0.33109 0.250824 ] [ 0 0.66891 0.750824 ] [ 0.33109 0.33109 0.750824 ] [ 0.33109 0 0.250824 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "As" "As" "As" "As" "As" "As" ] } "a" { "source-value" 8.84174242 "source-unit" "angstrom" } "c" { "source-value" 9.05778165 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.57154452625 "source-unit" "eV" } }