{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.794253 ] [ 0.666667 0.333333 0.205747 ] [ 0 0 0.5 ] [ 0.157004 0.314009 0.278981 ] [ 0.685991 0.842996 0.278981 ] [ 0.157004 0.842996 0.278981 ] [ 0.842996 0.685991 0.721019 ] [ 0.314009 0.157004 0.721019 ] [ 0.842996 0.157004 0.721019 ] ] } "species" { "source-value" [ "Rb" "Rb" "Ir" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 6.07545667846 "source-unit" "angstrom" } "c" { "source-value" 4.89364869 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 4.641074426666666 "source-unit" "eV" } }