{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.42241 5.059088 4.833916 4.670317 4.541747 4.435821 4.345743 4.267383 4.19804 4.135852 4.079479 4.027925 3.980432 3.936407 3.895376 3.856959 3.820842 3.786766 3.754512 3.723895 3.694757 3.666961 3.64039 3.61494 3.589211 3.562697 3.535349 3.507112 3.477927 3.447729 3.416443 3.383988 3.350275 3.315201 3.278653 3.240499 3.200594 3.158769 3.114828 3.068547 3.019663 2.967865 2.912784 2.853974 2.790895 2.722878 2.649082 2.568436 2.479534 2.380492 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.42241e-10 5.059088e-10 4.833916e-10 4.670317e-10 4.541747e-10 4.435821e-10 4.345743e-10 4.267383e-10 4.1980399999999997e-10 4.135852e-10 4.0794790000000003e-10 4.027925e-10 3.980432e-10 3.936407e-10 3.8953760000000004e-10 3.856959e-10 3.820842e-10 3.7867660000000003e-10 3.754512e-10 3.7238950000000004e-10 3.694757e-10 3.6669610000000003e-10 3.64039e-10 3.61494e-10 3.5892110000000003e-10 3.562697e-10 3.5353490000000003e-10 3.507112e-10 3.4779270000000003e-10 3.447729e-10 3.4164430000000005e-10 3.383988e-10 3.350275e-10 3.3152010000000004e-10 3.278653e-10 3.240499e-10 3.2005940000000005e-10 3.158769e-10 3.114828e-10 3.0685470000000003e-10 3.019663e-10 2.9678650000000004e-10 2.912784e-10 2.853974e-10 2.790895e-10 2.722878e-10 2.649082e-10 2.568436e-10 2.479534e-10 2.3804919999999997e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.905247 1.35251 1.69473 1.96488 2.19369 2.39611 2.57386 2.72756 2.85973 2.97338 3.07112 3.15511 3.22714 3.28876 3.34134 3.38607 3.42396 3.4558 3.48217 3.50338 3.51962 3.53104 3.53779 3.53999 3.53762 3.53005 3.51667 3.49689 3.46842 3.42912 3.37697 3.30974 3.22493 3.11964 2.99048 2.83325 2.6425 2.41068 2.12721 1.77764 1.34306 0.799377 0.115001 -0.755626 -1.88569 -3.39211 -5.4402 -8.25296 -12.1691 -17.7662 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.450365591398598e-19 2.16695991925134e-19 2.71525680693882e-19 3.14808482461392e-19 3.51467886023946e-19 3.83899145449374e-19 4.1237783511872395e-19 4.37003289983304e-19 4.581792585548819e-19 4.76387996000292e-19 4.92047670421008e-19 5.055043519699739e-19 5.170448302646759e-19 5.269174426833839e-19 5.35341687424956e-19 5.42508223508838e-19 5.48578870775064e-19 5.536802011777199e-19 5.57905140961578e-19 5.61303357602292e-19 5.63905292455908e-19 5.65734978171936e-19 5.66816447399886e-19 5.671689262593659e-19 5.667892103971079e-19 5.6557636268517e-19 5.63432650348878e-19 5.602635449668259e-19 5.55702148089828e-19 5.49405593918208e-19 5.410502427718979e-19 5.30278809261516e-19 5.16690749228562e-19 4.99821431449176e-19 4.791277180444319e-19 4.5393669482804995e-19 4.233751755345e-19 3.86233516805112e-19 3.4081661576111397e-19 2.84809327166376e-19 2.1518193500600397e-19 1.280743151157018e-19 1.84251915086634e-20 -1.210646321242884e-19 -3.0212084569674597e-19 -5.43475938195774e-19 -8.7161613242868e-19 -1.3222699673336639e-18 -1.94970476768094e-18 -2.84645905149708e-18 ] } }