{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.571617 0.5 ] [ 0.428383 0.428383 0.5 ] [ 0.571617 0 0.5 ] [ 0 0.223993 0 ] [ 0.776007 0.776007 0 ] [ 0.223993 0 0 ] [ 0.159853 0.437641 0 ] [ 0.562359 0.722212 0 ] [ 0.277788 0.840147 0 ] [ 0.840147 0.277788 0 ] [ 0.722212 0.562359 0 ] [ 0.437641 0.159853 0 ] [ 0.831087 0 0 ] [ 0.168913 0.168913 0 ] [ 0 0.831087 0 ] [ 0.21866 0 0.5 ] [ 0.78134 0.78134 0.5 ] [ 0 0.21866 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cr" "Cr" "Cr" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 9.84030843817 "source-unit" "angstrom" } "c" { "source-value" 3.96418768 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.468358127222222 "source-unit" "eV" } }