{ "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" [ [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.231286 0 0 ] [ 0 0.231286 0 ] [ 0 0 0.768714 ] [ 0.768714 0 0 ] [ 0 0 0.231286 ] [ 0 0.768714 0 ] [ 0.231286 0.5 0.5 ] [ 0 0.731286 0.5 ] [ 0 0.5 0.268714 ] [ 0.768714 0.5 0.5 ] [ 0 0.5 0.731286 ] [ 0 0.268714 0.5 ] [ 0.731286 0 0.5 ] [ 0.5 0.231286 0.5 ] [ 0.5 0 0.268714 ] [ 0.268714 0 0.5 ] [ 0.5 0 0.731286 ] [ 0.5 0.768714 0.5 ] [ 0.731286 0.5 0 ] [ 0.5 0.731286 0 ] [ 0.5 0.5 0.768714 ] [ 0.268714 0.5 0 ] [ 0.5 0.5 0.231286 ] [ 0.5 0.268714 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Pt" "Pt" "Pt" "Pt" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 11.7381525082 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 2.7077071633333336 "source-unit" "eV" } }