{ "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 0.688368 ] [ 0.666667 0.333333 0.311632 ] [ 0 0 0 ] [ 0.842478 0.157522 0.77205 ] [ 0.842478 0.684957 0.77205 ] [ 0.315043 0.157522 0.77205 ] [ 0.157522 0.842478 0.22795 ] [ 0.157522 0.315043 0.22795 ] [ 0.684957 0.842478 0.22795 ] ] } "species" { "source-value" [ "Rb" "Rb" "Zr" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" 6.27034422717 "source-unit" "angstrom" } "c" { "source-value" 4.92423395 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.79487144 "source-unit" "eV" } }