{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Fd-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.75 ] [ 0 0 0 ] [ 0.75 0.75 0.25 ] [ 0 0.5 0.5 ] [ 0.25 0.25 0.25 ] [ 0.5 0 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.5 0 ] [ 0.875 0.125 0.375 ] [ 0.875 0.375 0.125 ] [ 0.625 0.125 0.125 ] [ 0.625 0.375 0.375 ] [ 0.875 0.625 0.875 ] [ 0.875 0.875 0.625 ] [ 0.625 0.625 0.625 ] [ 0.625 0.875 0.875 ] [ 0.375 0.125 0.875 ] [ 0.375 0.375 0.625 ] [ 0.125 0.125 0.625 ] [ 0.125 0.375 0.875 ] [ 0.375 0.625 0.375 ] [ 0.375 0.875 0.125 ] [ 0.125 0.625 0.125 ] [ 0.125 0.875 0.375 ] [ 0.11984 0.88016 0.61984 ] [ 0.13016 0.13016 0.86984 ] [ 0.86984 0.86984 0.86984 ] [ 0.86984 0.13016 0.13016 ] [ 0.88016 0.38016 0.88016 ] [ 0.88016 0.11984 0.61984 ] [ 0.61984 0.11984 0.88016 ] [ 0.63016 0.36984 0.13016 ] [ 0.11984 0.38016 0.11984 ] [ 0.13016 0.63016 0.36984 ] [ 0.86984 0.36984 0.36984 ] [ 0.86984 0.63016 0.63016 ] [ 0.88016 0.88016 0.38016 ] [ 0.88016 0.61984 0.11984 ] [ 0.61984 0.61984 0.38016 ] [ 0.63016 0.86984 0.63016 ] [ 0.61984 0.88016 0.11984 ] [ 0.63016 0.13016 0.36984 ] [ 0.36984 0.86984 0.36984 ] [ 0.36984 0.13016 0.63016 ] [ 0.38016 0.38016 0.38016 ] [ 0.38016 0.11984 0.11984 ] [ 0.11984 0.11984 0.38016 ] [ 0.13016 0.36984 0.63016 ] [ 0.61984 0.38016 0.61984 ] [ 0.63016 0.63016 0.86984 ] [ 0.36984 0.36984 0.86984 ] [ 0.36984 0.63016 0.13016 ] [ 0.38016 0.88016 0.88016 ] [ 0.38016 0.61984 0.61984 ] [ 0.11984 0.61984 0.88016 ] [ 0.13016 0.86984 0.13016 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "short-name" { "source-value" [ "diamond" ] } "a" { "source-value" 9.38200342 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.587558785 "source-unit" "eV" } }