{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Mg" "Mg" ] } "a" { "source-value" [ 5.392 5.030717 4.806808 4.644126 4.516278 4.410945 4.321373 4.243453 4.174499 4.112659 4.056602 4.005338 3.958112 3.914333 3.873533 3.835331 3.799417 3.765532 3.733459 3.703014 3.674039 3.6464 3.619977 3.59467 3.569085 3.54272 3.515525 3.487447 3.458425 3.428396 3.397285 3.365013 3.331488 3.296611 3.260267 3.222328 3.182647 3.141055 3.097361 3.05134 3.00273 2.951222 2.896449 2.837969 2.775244 2.707607 2.634226 2.554031 2.465627 2.367141 2.255972 2.128365 1.978599 1.79733 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.392000000000001e-10 5.030717e-10 4.806808000000001e-10 4.644126e-10 4.516278e-10 4.410945e-10 4.3213730000000004e-10 4.243453e-10 4.174499e-10 4.112659e-10 4.056602e-10 4.0053380000000003e-10 3.958112e-10 3.9143330000000003e-10 3.8735330000000003e-10 3.835331e-10 3.799417e-10 3.765532e-10 3.733459e-10 3.7030140000000004e-10 3.674039e-10 3.6464e-10 3.6199770000000003e-10 3.59467e-10 3.569085e-10 3.54272e-10 3.515525e-10 3.4874470000000003e-10 3.4584250000000004e-10 3.4283960000000006e-10 3.397285e-10 3.365013e-10 3.331488e-10 3.296611e-10 3.260267e-10 3.222328e-10 3.182647e-10 3.1410550000000003e-10 3.097361e-10 3.0513400000000004e-10 3.00273e-10 2.951222e-10 2.896449e-10 2.8379690000000004e-10 2.775244e-10 2.707607e-10 2.634226e-10 2.554031e-10 2.465627e-10 2.367141e-10 2.255972e-10 2.128365e-10 1.978599e-10 1.79733e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.247372 0.408175 0.549522 0.676017 0.790686 0.894164 0.986414 1.06814 1.14036 1.20403 1.26 1.30899 1.35165 1.38856 1.4202 1.44698 1.46929 1.48752 1.50208 1.51338 1.52187 1.52779 1.53126 1.53239 1.53117 1.52724 1.52014 1.50932 1.49389 1.47284 1.44497 1.40877 1.36237 1.30341 1.22892 1.13509 1.01697 0.868071 0.679834 0.440814 0.135571 -0.257121 -0.767204 -1.43809 -2.33387 -3.55046 -5.23459 -7.62113 -11.1051 -16.3854 -24.7789 -38.9596 -65.0212 -119.093 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.96333638305848e-20 6.5396844758295e-20 8.804313082689478e-20 1.0830986415867779e-19 1.2668186340309239e-19 1.4326086677639758e-19 1.580409462250476e-19 1.71134894984076e-19 1.8270581463482399e-19 1.9290687326350199e-19 2.01874255884e-19 2.09723319213966e-19 2.1655820473461e-19 2.22471838690704e-19 2.2754112556068e-19 2.3183175458653196e-19 2.35406210656986e-19 2.38326978660768e-19 2.40659747839872e-19 2.4247020743629196e-19 2.43830455398558e-19 2.44778943965886e-19 2.45334899257884e-19 2.45515945217526e-19 2.4532047966817796e-19 2.4469082425101595e-19 2.43553278840876e-19 2.41819723722888e-19 2.39347565176626e-19 2.35974983362056e-19 2.31509717083098e-19 2.25709837668018e-19 2.18275738086258e-19 2.0882930465219398e-19 1.96894690905528e-19 1.8186146754870597e-19 1.6293655714789799e-19 1.390803072853014e-19 1.089214149798756e-19 7.062618907400759e-20 2.17208688448014e-20 -4.11953258310714e-20 -1.2291963223113358e-19 -2.30407419558906e-19 -3.73927198079358e-19 -5.68846405195164e-19 -8.386737786570059e-19 -1.221039641067642e-18 -1.7792331738233398e-18 -2.62523050187436e-18 -3.97001745962226e-18 -6.24201607899864e-18 -1.0417544735464079e-17 -1.90808021872962e-17 ] } }