{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.674849 0.837425 0.25 ] [ 0.162575 0.837425 0.25 ] [ 0.162575 0.325151 0.25 ] [ 0.325151 0.162575 0.75 ] [ 0.837425 0.162575 0.75 ] [ 0.837425 0.674849 0.75 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Re" "Re" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.09440717 "source-unit" "angstrom" } "c" { "source-value" 4.05967741 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 9.46599794375 "source-unit" "eV" } }