{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.603083 0.801541 0.223228 ] [ 0.198459 0.396917 0.223228 ] [ 0.198459 0.801541 0.223228 ] [ 0.333333 0.666667 0.472736 ] [ 0.998159 0.499079 0.976208 ] [ 0.500921 0.001841 0.976208 ] [ 0 0 0.02083 ] [ 0.336101 0.168051 0.431009 ] [ 0.831949 0.168051 0.431009 ] [ 0.831949 0.663899 0.431009 ] [ 0.500921 0.499079 0.976208 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "S" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "a" { "source-value" 7.20381288578 "source-unit" "angstrom" } "c" { "source-value" 6.93488391 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.1706961418181825 "source-unit" "eV" } }