{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.244187 ] [ 0 0.244187 0 ] [ 0 0.755813 0 ] [ 0 0 0.755813 ] [ 0.755813 0 0 ] [ 0.244187 0 0 ] [ 0 0.5 0.744187 ] [ 0 0.744187 0.5 ] [ 0 0.255813 0.5 ] [ 0 0.5 0.255813 ] [ 0.755813 0.5 0.5 ] [ 0.244187 0.5 0.5 ] [ 0.5 0 0.744187 ] [ 0.5 0.244187 0.5 ] [ 0.5 0.755813 0.5 ] [ 0.5 0 0.255813 ] [ 0.255813 0 0.5 ] [ 0.744187 0 0.5 ] [ 0.5 0.5 0.244187 ] [ 0.5 0.744187 0 ] [ 0.5 0.255813 0 ] [ 0.5 0.5 0.755813 ] [ 0.255813 0.5 0 ] [ 0.744187 0.5 0 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Fe" "Fe" "Fe" "Fe" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 6.3887067544 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.8397284455555556 "source-unit" "eV" } }