{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0.115886 0.982709 0.169852 ] [ 0.866823 0.884114 0.169852 ] [ 0.884114 0.017291 0.830148 ] [ 0.982709 0.866823 0.830148 ] [ 0.017291 0.133177 0.169852 ] [ 0.133177 0.115886 0.830148 ] [ 0.112944 0.556455 0.577179 ] [ 0.243887 0.568897 0.842085 ] [ 0.804298 0.358403 0.635991 ] [ 0.32501 0.756113 0.842085 ] [ 0.743148 0.550612 0.443377 ] [ 0.554104 0.195702 0.635991 ] [ 0.67499 0.243887 0.157915 ] [ 0.756113 0.431103 0.157915 ] [ 0.556489 0.112944 0.422821 ] [ 0.445896 0.804298 0.364009 ] [ 0.807464 0.256852 0.443377 ] [ 0.358403 0.554104 0.364009 ] [ 0.556455 0.443511 0.422821 ] [ 0.443511 0.887056 0.577179 ] [ 0.256852 0.449388 0.556623 ] [ 0.568897 0.32501 0.157915 ] [ 0.550612 0.807464 0.556623 ] [ 0.887056 0.443545 0.422821 ] [ 0.431103 0.67499 0.842085 ] [ 0.641597 0.445896 0.635991 ] [ 0.192536 0.743148 0.556623 ] [ 0.195702 0.641597 0.364009 ] [ 0.449388 0.192536 0.443377 ] [ 0.443545 0.556489 0.577179 ] [ 0.333333 0.666667 0.793787 ] [ 0.452674 0.801673 0.515444 ] [ 0.025567 0.19613 0.760519 ] [ 0.19613 0.170563 0.239481 ] [ 0.74261 0.044806 0.832113 ] [ 0.348999 0.547326 0.515444 ] [ 0.80387 0.829437 0.760519 ] [ 0.974433 0.80387 0.239481 ] [ 0.829437 0.025567 0.239481 ] [ 0.044806 0.302196 0.167887 ] [ 0.25739 0.955194 0.167887 ] [ 0.170563 0.974433 0.760519 ] [ 0.801673 0.348999 0.484556 ] [ 0.198327 0.651001 0.515444 ] [ 0.302196 0.25739 0.832113 ] [ 0.666667 0.333333 0.206213 ] [ 0.547326 0.198327 0.484556 ] [ 0.697804 0.74261 0.167887 ] [ 0.955194 0.697804 0.832113 ] [ 0.651001 0.452674 0.484556 ] [ 0.666667 0.333333 0.415043 ] [ 0.333333 0.666667 0.584957 ] [ 0.931802 0.582946 0.846557 ] [ 0.582946 0.651144 0.153443 ] [ 0.068198 0.417054 0.153443 ] [ 0.417054 0.348856 0.846557 ] [ 0.737891 0.038759 0.305709 ] [ 0.262109 0.961241 0.694291 ] [ 0.651144 0.068198 0.846557 ] [ 0.038759 0.300868 0.694291 ] [ 0.961241 0.699132 0.305709 ] [ 0.699132 0.737891 0.694291 ] [ 0.348856 0.931802 0.153443 ] [ 0.300868 0.262109 0.305709 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 11.0661069457 "source-unit" "angstrom" } "c" { "source-value" 7.19789698 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.81448349546875 "source-unit" "eV" } }