{ "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 5.084792 5.059019 5.031819 5.003026 4.972439 4.939822 4.904884 4.867272 4.82654 4.782124 4.733291 4.679065 4.618104 4.548496 4.467374 4.37016 4.24885 4.08742 ] "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 5.084792e-10 5.059019000000001e-10 5.031819e-10 5.003026e-10 4.972438999999999e-10 4.939822000000001e-10 4.904884e-10 4.867272e-10 4.82654e-10 4.782124e-10 4.733291000000001e-10 4.679065e-10 4.618104e-10 4.548496e-10 4.4673740000000005e-10 4.37016e-10 4.2488500000000003e-10 4.08742e-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 2.04044 2.22632 2.38271 2.51623 2.63136 2.73125 2.81827 2.87909 2.91229 2.96786 3.01613 3.05768 3.09316 3.12311 3.14801 3.16826 3.18421 3.19617 3.20443 3.20923 3.21078 3.21003 3.20759 3.20308 3.19604 3.18588 3.17184 3.15293 3.12783 3.09476 3.05121 2.99369 2.91702 2.81335 2.6701 2.46597 2.16174 1.67672 0.813849 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8215146001875202e-19 2.4486065295686403e-19 2.90698926077952e-19 3.269145264145152e-19 3.566957854419456e-19 3.817522256146368e-19 4.031444878555585e-19 4.2159034729082883e-19 4.3759448955600005e-19 4.515366305102016e-19 4.612810687179073e-19 4.666002950989633e-19 4.755035905807488e-19 4.832372971293505e-19 4.898943409887744e-19 4.955788636393729e-19 5.003773826186688e-19 5.043668024044609e-19 5.076112100615808e-19 5.101666817717569e-19 5.120828850102336e-19 5.134062828990144e-19 5.141753276769984e-19 5.144236650532225e-19 5.143035018066625e-19 5.139125707111872e-19 5.131899890552064e-19 5.120620567141632e-19 5.104342452674305e-19 5.081847892918273e-19 5.051550733018944e-19 5.011336099836864e-19 4.9583521189870085e-19 4.888577327151168e-19 4.796420127922752e-19 4.673581246406016e-19 4.50748359612768e-19 4.2779717951980804e-19 3.950919481594176e-19 3.4634892882481923e-19 2.686401583627776e-19 1.3039298406614594e-19 ] } }