{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 7.66392 7.150409 6.832155 6.600927 6.41921 6.269495 6.142182 6.031429 5.933422 5.845526 5.765849 5.692985 5.625859 5.563634 5.505643 5.451345 5.400298 5.352136 5.306548 5.263275 5.222092 5.182806 5.145251 5.10928 5.072915 5.035441 4.996788 4.956879 4.915629 4.872947 4.828728 4.782858 4.735208 4.685636 4.633979 4.580054 4.523653 4.464537 4.402432 4.33702 4.267929 4.194718 4.116867 4.033747 3.944593 3.848458 3.744157 3.630173 3.504521 3.364538 3.206529 3.025154 2.812286 2.55464 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.66392e-10 7.150409e-10 6.832155000000001e-10 6.600927000000001e-10 6.41921e-10 6.269495e-10 6.142182e-10 6.031429e-10 5.933422e-10 5.845526e-10 5.765849e-10 5.692985e-10 5.625859000000001e-10 5.563634000000001e-10 5.505643e-10 5.451345e-10 5.400298000000001e-10 5.352136e-10 5.306548e-10 5.263275e-10 5.222092000000001e-10 5.182806000000001e-10 5.145251000000001e-10 5.10928e-10 5.072915e-10 5.035441e-10 4.996788e-10 4.956879e-10 4.915629e-10 4.872947e-10 4.828728e-10 4.782858e-10 4.735208e-10 4.685636e-10 4.633979e-10 4.580054e-10 4.5236530000000006e-10 4.4645370000000004e-10 4.402432e-10 4.3370200000000003e-10 4.267929e-10 4.194718e-10 4.1168670000000004e-10 4.033747e-10 3.944593e-10 3.848458e-10 3.744157e-10 3.630173e-10 3.504521e-10 3.3645380000000003e-10 3.206529e-10 3.0251540000000004e-10 2.812286e-10 2.55464e-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" [ 1.1369 1.5283 1.8144 2.04055 2.22644 2.38271 2.51623 2.63136 2.73125 2.81827 2.8942 2.96046 3.01819 3.06831 3.11161 3.14873 3.15737 3.15041 3.16826 3.18421 3.19617 3.20443 3.20923 3.21078 3.20912 3.20379 3.19419 3.1796 3.15919 3.13195 3.0967 3.05201 2.99616 2.92709 2.84224 2.73852 2.61207 2.45805 2.27046 2.04158 1.76152 1.41735 0.992045 0.462714 -0.201917 -1.04551 -2.13047 -3.54851 -5.43913 -8.02306 -11.6675 -17.0225 -25.3378 -39.2977 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8215146151945999e-19 2.4486065497422e-19 2.9069892847296e-19 3.2693215305087e-19 3.56715014500296e-19 3.81752228759814e-19 4.03144491176982e-19 4.21590350764224e-19 4.3759449316125e-19 4.51536634230318e-19 4.637019614122799e-19 4.74317983789164e-19 4.83567349497246e-19 4.915974587868539e-19 4.98534883612074e-19 5.044821632774819e-19 5.058664438892579e-19 5.047513289519939e-19 5.076112142436839e-19 5.10166685974914e-19 5.12082889229178e-19 5.134062871288619e-19 5.14175331913182e-19 5.14423669291452e-19 5.141577079702079e-19 5.13303747824286e-19 5.117656582556459e-19 5.0942808254664e-19 5.06158040036646e-19 5.0179371088563e-19 4.961460382507799e-19 4.88985910873434e-19 4.80037754372544e-19 4.68971520361506e-19 4.55377051622016e-19 4.38759275574168e-19 4.18499752037238e-19 3.9382302752037e-19 3.63767796043164e-19 3.27097177244172e-19 2.82226618432368e-19 2.2708450521999e-19 1.5894313188765298e-19 7.41349559024676e-20 -3.23506699407378e-20 -1.6750916926133398e-19 -3.4133892534379797e-19 -5.68533980751534e-19 -8.714446995288418e-19 -1.2854359265180039e-18 -1.8693395877195e-18 -2.7273051752265e-18 -4.05956311169652e-18 -6.296185670994179e-18 ] } }