{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Im3" } "basis-atom-coordinates" { "source-value" [ [ 0.146548 0 0.348426 ] [ 0.146548 0 0.651574 ] [ 0.853452 0 0.348426 ] [ 0 0.348426 0.853452 ] [ 0.853452 0 0.651574 ] [ 0 0.651574 0.853452 ] [ 0.651574 0.853452 0 ] [ 0 0.651574 0.146548 ] [ 0.348426 0.146548 0 ] [ 0 0.348426 0.146548 ] [ 0.348426 0.853452 0 ] [ 0.651574 0.146548 0 ] [ 0.646548 0.5 0.848426 ] [ 0.646548 0.5 0.151574 ] [ 0.353452 0.5 0.848426 ] [ 0.5 0.848426 0.353452 ] [ 0.353452 0.5 0.151574 ] [ 0.5 0.151574 0.353452 ] [ 0.151574 0.353452 0.5 ] [ 0.5 0.151574 0.646548 ] [ 0.848426 0.646548 0.5 ] [ 0.5 0.848426 0.646548 ] [ 0.848426 0.353452 0.5 ] [ 0.151574 0.646548 0.5 ] [ 0.25 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.25 0.75 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.75 0.25 0.75 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "a" { "source-value" 8.58357236 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.766691081875 "source-unit" "eV" } }