{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "In" "In" "In" ] } "a" { "source-value" [ 9.49614 8.859864 8.465525 8.179017 7.953856 7.768349 7.610598 7.473368 7.35193 7.243021 7.144296 7.054012 6.970838 6.893737 6.821881 6.754602 6.691352 6.631675 6.575189 6.52157 6.470541 6.421864 6.37533 6.33076 6.300418 6.268483 6.234781 6.199104 6.161205 6.12079 6.077501 6.030896 5.980427 5.925393 5.864886 5.797696 5.722162 5.635912 5.535397 5.414943 5.264633 5.06461 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.49614e-10 8.859864e-10 8.465525e-10 8.179017000000001e-10 7.953856e-10 7.768349e-10 7.610598000000001e-10 7.473368e-10 7.35193e-10 7.243021e-10 7.144296e-10 7.054012e-10 6.970838e-10 6.893737e-10 6.821881e-10 6.754602e-10 6.691352e-10 6.631675e-10 6.575189e-10 6.52157e-10 6.470541e-10 6.421864e-10 6.37533e-10 6.33076e-10 6.300418e-10 6.268483e-10 6.234781e-10 6.199104e-10 6.161205e-10 6.12079e-10 6.077501e-10 6.030896e-10 5.980427e-10 5.925393e-10 5.864886000000001e-10 5.797696e-10 5.722162e-10 5.635912000000001e-10 5.535396999999999e-10 5.414943e-10 5.264633e-10 5.06461e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0 1.26409 1.40845 1.5256 1.62491 1.71079 1.78584 1.85186 1.91014 1.96164 2.00717 2.04733 2.08265 2.11357 2.14046 2.16362 2.18335 2.19987 2.21341 2.22415 2.23225 2.23788 2.24117 2.24224 2.24172 2.24002 2.23687 2.23194 2.22479 2.21486 2.20142 2.18349 2.15973 2.12827 2.08644 2.03028 1.95375 1.84706 1.6935 1.46197 1.08771 0.410106 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.0252954612730597e-19 2.2565856801573e-19 2.4442806728304e-19 2.60339283435294e-19 2.7409877636808596e-19 2.86123112006256e-19 2.96700682143924e-19 3.0603816756687597e-19 3.14289377231976e-19 3.2158408744657795e-19 3.28018428808722e-19 3.3367731668001e-19 3.38631246832338e-19 3.42939499801164e-19 3.46650140885508e-19 3.4981123538439e-19 3.52458031183758e-19 3.54627378346194e-19 3.5634811605110997e-19 3.5764587912464997e-19 3.58547904569592e-19 3.5907502068217793e-19 3.5924645358201596e-19 3.59163140397048e-19 3.5889077036926796e-19 3.58386084729558e-19 3.5759621164899595e-19 3.5645065535568596e-19 3.5485969395812393e-19 3.52706368562028e-19 3.49833665857266e-19 3.46026894174882e-19 3.40986446484318e-19 3.34284541624296e-19 3.2528671764775196e-19 3.1302525986774998e-19 2.9593163735960397e-19 2.713286129679e-19 2.34233417360898e-19 1.7427035465681398e-19 6.57062250663204e-20 ] } }