{ "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 0.75 ] [ 0.25 0.25 0.75 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.229737 0 0 ] [ 0 0 0.229737 ] [ 0 0 0.770263 ] [ 0 0.229737 0 ] [ 0 0.770263 0 ] [ 0.770263 0 0 ] [ 0.229737 0.5 0.5 ] [ 0 0.5 0.729737 ] [ 0 0.5 0.270263 ] [ 0 0.729737 0.5 ] [ 0 0.270263 0.5 ] [ 0.770263 0.5 0.5 ] [ 0.729737 0 0.5 ] [ 0.5 0 0.729737 ] [ 0.5 0 0.270263 ] [ 0.5 0.229737 0.5 ] [ 0.5 0.770263 0.5 ] [ 0.270263 0 0.5 ] [ 0.729737 0.5 0 ] [ 0.5 0.5 0.229737 ] [ 0.5 0.5 0.770263 ] [ 0.5 0.729737 0 ] [ 0.5 0.270263 0 ] [ 0.270263 0.5 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "W" "W" "W" "W" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 11.1388027085 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.8379810711111113 "source-unit" "eV" } }