{ "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 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.75 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.776649 0 0 ] [ 0 0.223351 0 ] [ 0 0.776649 0 ] [ 0.223351 0 0 ] [ 0 0 0.776649 ] [ 0 0 0.223351 ] [ 0.776649 0.5 0.5 ] [ 0 0.723351 0.5 ] [ 0 0.276649 0.5 ] [ 0.223351 0.5 0.5 ] [ 0 0.5 0.276649 ] [ 0 0.5 0.723351 ] [ 0.276649 0 0.5 ] [ 0.5 0.223351 0.5 ] [ 0.5 0.776649 0.5 ] [ 0.723351 0 0.5 ] [ 0.5 0 0.276649 ] [ 0.5 0 0.723351 ] [ 0.276649 0.5 0 ] [ 0.5 0.723351 0 ] [ 0.5 0.276649 0 ] [ 0.723351 0.5 0 ] [ 0.5 0.5 0.776649 ] [ 0.5 0.5 0.223351 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Ir" "Ir" "Ir" "Ir" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "short-name" { "source-value" [ "fcc" ] } "a" { "source-value" 10.5205748625 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.629072972222222 "source-unit" "eV" } }