{ "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/m" } "basis-atom-coordinates" { "source-value" [ [ 0.637377 0.715584 0.75 ] [ 0.921792 0.637377 0.25 ] [ 0.715584 0.078208 0.25 ] [ 0.284416 0.921792 0.75 ] [ 0.078208 0.362623 0.75 ] [ 0.362623 0.284416 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.545034 0.680905 0.25 ] [ 0.864129 0.545034 0.75 ] [ 0.680905 0.135871 0.75 ] [ 0.319095 0.864129 0.25 ] [ 0.135871 0.454966 0.25 ] [ 0.454966 0.319095 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Cr" "Cr" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" 8.43191769934 "source-unit" "angstrom" } "c" { "source-value" 5.499288 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.525066374285714 "source-unit" "eV" } }