{ "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" [ 1.8215146151945999e-19 2.4486065497422e-19 2.9069892847296e-19 3.2691452910789593e-19 3.5669578838068796e-19 3.81752228759814e-19 4.03144491176982e-19 4.21590350764224e-19 4.3759449316125e-19 4.51536634230318e-19 4.6128107251830595e-19 4.66600298943186e-19 4.7550359449832395e-19 4.83237301110642e-19 4.89894345024912e-19 4.95578867722344e-19 5.003773867411739e-19 5.04366806559834e-19 5.076112142436839e-19 5.10166685974914e-19 5.12082889229178e-19 5.134062871288619e-19 5.14175331913182e-19 5.14423669291452e-19 5.14303506043902e-19 5.139125749452059e-19 5.13189993283272e-19 5.12062060932936e-19 5.10434249472792e-19 5.08184793478656e-19 5.05155077463762e-19 5.011336141124219e-19 4.958352159837839e-19 4.88857736742714e-19 4.79642016743946e-19 4.67358128491068e-19 4.507483633263899e-19 4.2779718304434e-19 3.9509195141449796e-19 3.46348931678316e-19 2.6864016057604797e-19 1.303929851404266e-19 ] } }