{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.91322 7.383005 7.054399 6.815649 6.628021 6.473436 6.341981 6.227626 6.12643 6.035675 5.953407 5.878172 5.808863 5.744614 5.684736 5.628672 5.575965 5.526235 5.479165 5.434484 5.391961 5.351398 5.312621 5.27548 5.250195 5.223584 5.1955 5.165769 5.134188 5.100509 5.064436 5.025599 4.983543 4.937682 4.887261 4.831271 4.768327 4.696454 4.612693 4.512317 4.387062 4.22038 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.91322e-10 7.383005e-10 7.054399000000001e-10 6.815649e-10 6.628021000000001e-10 6.473436000000001e-10 6.341981e-10 6.227626e-10 6.12643e-10 6.035675e-10 5.953407e-10 5.878172000000001e-10 5.808863e-10 5.744614e-10 5.684736e-10 5.628672e-10 5.575965e-10 5.526235e-10 5.479165e-10 5.434484e-10 5.391961000000001e-10 5.351398e-10 5.312621e-10 5.27548e-10 5.250195e-10 5.223584e-10 5.1955e-10 5.165769e-10 5.134188e-10 5.100509e-10 5.064436e-10 5.025599e-10 4.983543000000001e-10 4.937682e-10 4.887261e-10 4.831271000000001e-10 4.768327e-10 4.696454e-10 4.6126930000000004e-10 4.5123170000000003e-10 4.3870620000000006e-10 4.2203799999999995e-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" [ 0.879363 1.22748 1.48031 1.67456 1.82561 1.9449 2.04028 2.11712 2.17312 2.20636 2.22881 2.249 2.27014 2.29131 2.31163 2.33053 2.34767 2.36282 2.37587 2.38676 2.39548 2.40207 2.40655 2.40826 2.4073 2.40393 2.39783 2.38901 2.37759 2.36383 2.34814 2.33127 2.31401 2.29631 2.27785 2.25806 2.23594 2.20971 2.17593 2.12791 2.05519 1.90481 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4088948397965506e-19 1.9666397584995838e-19 2.371718073536448e-19 2.682940882126848e-19 2.924949660698688e-19 3.1160733097939203e-19 3.2688889158858245e-19 3.392000167428096e-19 3.4817220581928963e-19 3.5349784090682886e-19 3.5709472742052485e-19 3.6032952201792004e-19 3.6371652339429123e-19 3.6710833130052487e-19 3.703639541939904e-19 3.733920680073024e-19 3.761381987353536e-19 3.7856549631586564e-19 3.806563368060096e-19 3.8240110714606085e-19 3.8379820515939843e-19 3.848540395525056e-19 3.8557181467862407e-19 3.858457868807808e-19 3.8569197792518405e-19 3.851520444039744e-19 3.841747166652864e-19 3.827615968857408e-19 3.8093191118478724e-19 3.7872731615456643e-19 3.762135010365312e-19 3.7351062907724164e-19 3.7074527222974082e-19 3.6790941961092484e-19 3.64951801568928e-19 3.617810940363648e-19 3.5823707935115517e-19 3.540345700747968e-19 3.4862241744973446e-19 3.4092876531665283e-19 3.292777369301952e-19 3.051842049066048e-19 ] } }