{ "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 0.727744 0.75 ] [ 0 0.272256 0.25 ] [ 0.727744 0.727744 0.25 ] [ 0.727744 0 0.75 ] [ 0.272256 0.272256 0.75 ] [ 0.272256 0 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "N" "N" ] } "a" { "source-value" 7.73687132046 "source-unit" "angstrom" } "c" { "source-value" 7.098638 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.82782009125 "source-unit" "eV" } }