{ "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" [ [ 0.666467 0.666467 0.300572 ] [ 0 0.666467 0.800572 ] [ 0.666467 0 0.800572 ] [ 0.333533 0.333533 0.800572 ] [ 0 0.333533 0.300572 ] [ 0.333533 0 0.300572 ] [ 0.666667 0.333333 0.608702 ] [ 0.333333 0.666667 0.608702 ] [ 0.666667 0.333333 0.108702 ] [ 0.333333 0.666667 0.108702 ] [ 0 0 0.001635 ] [ 0 0 0.501635 ] [ 0.828315 0.333196 0.861254 ] [ 0.837959 0.837959 0.749641 ] [ 0.495119 0.828315 0.361254 ] [ 0.171685 0.504881 0.861254 ] [ 0 0.837959 0.249641 ] [ 0.504881 0.171685 0.861254 ] [ 0.837959 0 0.249641 ] [ 0.495119 0.666804 0.861254 ] [ 0.333196 0.828315 0.861254 ] [ 0.171685 0.666804 0.361254 ] [ 0 0.162041 0.749641 ] [ 0.666804 0.495119 0.861254 ] [ 0.333196 0.504881 0.361254 ] [ 0.828315 0.495119 0.361254 ] [ 0.666804 0.171685 0.361254 ] [ 0.162041 0.162041 0.249641 ] [ 0.162041 0 0.749641 ] [ 0.504881 0.333196 0.361254 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "a" { "source-value" 13.1885284121 "source-unit" "angstrom" } "c" { "source-value" 6.60949519 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.223170935333333 "source-unit" "eV" } }