{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-6" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.294135 ] [ 0.333333 0.666667 0.705865 ] [ 0.666667 0.333333 0.5 ] [ 0 0 0.745861 ] [ 0 0 0.254139 ] [ 0.666667 0.333333 0 ] [ 0.247273 0.977572 0 ] [ 0.231314 0.946114 0.5 ] [ 0.022428 0.269701 0 ] [ 0.053886 0.2852 0.5 ] [ 0.408641 0.351025 0.761305 ] [ 0.408641 0.351025 0.238695 ] [ 0.730299 0.752727 0 ] [ 0.7148 0.768686 0.5 ] [ 0.648975 0.057616 0.761305 ] [ 0.648975 0.057616 0.238695 ] [ 0.942384 0.591359 0.761305 ] [ 0.942384 0.591359 0.238695 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Nd" "Nd" "Nd" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 6.19186449648 "source-unit" "angstrom" } "c" { "source-value" 7.41379271 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.930273793888889 "source-unit" "eV" } }