{ "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 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.330741 0.830741 0 ] [ 0.169259 0.669259 0 ] [ 0 0.669259 0.830741 ] [ 0 0.669259 0.169259 ] [ 0.669259 0.830741 0 ] [ 0.830741 0.669259 0 ] [ 0.169259 0.5 0.830741 ] [ 0.669259 0 0.169259 ] [ 0 0.830741 0.330741 ] [ 0.330741 0.5 0.669259 ] [ 0.830741 0 0.330741 ] [ 0 0.830741 0.669259 ] [ 0.330741 0.330741 0.5 ] [ 0.169259 0.169259 0.5 ] [ 0 0.169259 0.330741 ] [ 0 0.169259 0.669259 ] [ 0.669259 0.330741 0.5 ] [ 0.830741 0.169259 0.5 ] [ 0.169259 0 0.330741 ] [ 0.669259 0.5 0.669259 ] [ 0 0.330741 0.830741 ] [ 0.330741 0 0.169259 ] [ 0.830741 0.5 0.830741 ] [ 0 0.330741 0.169259 ] [ 0.830741 0.830741 0.5 ] [ 0.669259 0.669259 0.5 ] [ 0.5 0.669259 0.330741 ] [ 0.5 0.669259 0.669259 ] [ 0.169259 0.830741 0.5 ] [ 0.330741 0.669259 0.5 ] [ 0.669259 0.5 0.330741 ] [ 0.169259 0 0.669259 ] [ 0.5 0.830741 0.830741 ] [ 0.830741 0.5 0.169259 ] [ 0.330741 0 0.830741 ] [ 0.5 0.830741 0.169259 ] [ 0.830741 0.330741 0 ] [ 0.669259 0.169259 0 ] [ 0.5 0.169259 0.830741 ] [ 0.5 0.169259 0.169259 ] [ 0.169259 0.330741 0 ] [ 0.330741 0.169259 0 ] [ 0.669259 0 0.830741 ] [ 0.169259 0.5 0.169259 ] [ 0.5 0.330741 0.330741 ] [ 0.830741 0 0.669259 ] [ 0.330741 0.5 0.330741 ] [ 0.5 0.330741 0.669259 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 7.41144995 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.863279005384616 "source-unit" "eV" } }