{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "I23" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.317809 0.825337 0.005247 ] [ 0.994753 0.317809 0.174663 ] [ 0.005247 0.682191 0.174663 ] [ 0.174663 0.994753 0.317809 ] [ 0.174663 0.005247 0.682191 ] [ 0.682191 0.825337 0.994753 ] [ 0.317809 0.174663 0.994753 ] [ 0.825337 0.994753 0.682191 ] [ 0.825337 0.005247 0.317809 ] [ 0.994753 0.682191 0.825337 ] [ 0.005247 0.317809 0.825337 ] [ 0.682191 0.174663 0.005247 ] [ 0.817809 0.325337 0.505247 ] [ 0.494753 0.817809 0.674663 ] [ 0.505247 0.182191 0.674663 ] [ 0.674663 0.494753 0.817809 ] [ 0.674663 0.505247 0.182191 ] [ 0.182191 0.325337 0.494753 ] [ 0.817809 0.674663 0.494753 ] [ 0.325337 0.494753 0.182191 ] [ 0.325337 0.505247 0.817809 ] [ 0.494753 0.182191 0.325337 ] [ 0.505247 0.817809 0.325337 ] [ 0.182191 0.674663 0.505247 ] [ 0.83043 0.16957 0.16957 ] [ 0.367879 0.990312 0.743528 ] [ 0.990312 0.256472 0.632121 ] [ 0.509688 0.756472 0.867879 ] [ 0.12297 0.12297 0.12297 ] [ 0.12297 0.87703 0.87703 ] [ 0.132121 0.509688 0.243528 ] [ 0.16957 0.83043 0.16957 ] [ 0.756472 0.867879 0.509688 ] [ 0.256472 0.632121 0.990312 ] [ 0.743528 0.367879 0.990312 ] [ 0.243528 0.132121 0.509688 ] [ 0.83043 0.83043 0.83043 ] [ 0.867879 0.509688 0.756472 ] [ 0.87703 0.87703 0.12297 ] [ 0.87703 0.12297 0.87703 ] [ 0.990312 0.743528 0.367879 ] [ 0.509688 0.243528 0.132121 ] [ 0.632121 0.990312 0.256472 ] [ 0.16957 0.16957 0.83043 ] [ 0.33043 0.66957 0.66957 ] [ 0.867879 0.490312 0.243528 ] [ 0.490312 0.756472 0.132121 ] [ 0.009688 0.256472 0.367879 ] [ 0.62297 0.62297 0.62297 ] [ 0.62297 0.37703 0.37703 ] [ 0.632121 0.009688 0.743528 ] [ 0.66957 0.33043 0.66957 ] [ 0.256472 0.367879 0.009688 ] [ 0.756472 0.132121 0.490312 ] [ 0.243528 0.867879 0.490312 ] [ 0.743528 0.632121 0.009688 ] [ 0.33043 0.33043 0.33043 ] [ 0.367879 0.009688 0.256472 ] [ 0.37703 0.37703 0.62297 ] [ 0.37703 0.62297 0.37703 ] [ 0.490312 0.243528 0.867879 ] [ 0.009688 0.743528 0.632121 ] [ 0.132121 0.490312 0.756472 ] [ 0.66957 0.66957 0.33043 ] ] } "species" { "source-value" [ "Dy" "Dy" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 10.34467735 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.884130600000001 "source-unit" "eV" } }