{ "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 2.025295444587072e-19 2.25658566156576e-19 2.44428065269248e-19 2.603392812904128e-19 2.740987741098432e-19 2.8612310964894723e-19 2.967006796994688e-19 3.060381650454912e-19 3.142893746426112e-19 3.215840847971136e-19 3.280184261062464e-19 3.3367731393091203e-19 3.3863124404242565e-19 3.4293949697575684e-19 3.466501380295296e-19 3.49811232502368e-19 3.5245802827992967e-19 3.546273754244928e-19 3.56348113115232e-19 3.5764587617808005e-19 3.5854790161559045e-19 3.590750177238336e-19 3.592464506222592e-19 3.591631374379776e-19 3.588907674124416e-19 3.5838608177688966e-19 3.575962087028352e-19 3.564506524189632e-19 3.548596910345088e-19 3.5270636565615364e-19 3.498336629750592e-19 3.4602689132403844e-19 3.4098644367500165e-19 3.3428453887019525e-19 3.252867149677824e-19 3.130252572888e-19 2.959316349214848e-19 2.7132861073248e-19 2.342334154310976e-19 1.742703532210368e-19 6.570622452498049e-20 ] } }