{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.27647 3.989931 3.812345 3.68332 3.581921 3.498381 3.427339 3.36554 3.310851 3.261805 3.217346 3.176687 3.139231 3.10451 3.07215 3.041852 3.013368 2.986493 2.961056 2.936909 2.913929 2.892008 2.871052 2.85098 2.837316 2.822934 2.807757 2.79169 2.774622 2.756422 2.736927 2.715939 2.69321 2.668426 2.641178 2.610919 2.576903 2.538061 2.492795 2.43855 2.370859 2.28078 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.27647e-10 3.989931e-10 3.812345e-10 3.6833200000000003e-10 3.5819210000000003e-10 3.498381e-10 3.427339e-10 3.36554e-10 3.3108510000000003e-10 3.261805e-10 3.217346e-10 3.176687e-10 3.1392310000000004e-10 3.10451e-10 3.07215e-10 3.0418520000000003e-10 3.013368e-10 2.986493e-10 2.961056e-10 2.936909e-10 2.913929e-10 2.8920080000000004e-10 2.871052e-10 2.85098e-10 2.837316e-10 2.822934e-10 2.807757e-10 2.79169e-10 2.774622e-10 2.756422e-10 2.736927e-10 2.7159390000000004e-10 2.69321e-10 2.6684260000000003e-10 2.6411780000000004e-10 2.610919e-10 2.576903e-10 2.538061e-10 2.4927950000000004e-10 2.4385500000000003e-10 2.370859e-10 2.28078e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 1.42897 1.69467 1.95655 2.25962 2.42572 2.57044 2.69758 2.80982 2.90917 2.99716 3.07501 3.14369 3.20401 3.25665 3.30219 3.34112 3.37386 3.40079 3.42223 3.43849 3.44983 3.45648 3.45865 3.4576 3.45412 3.44767 3.43752 3.42275 3.40218 3.37421 3.33671 3.28674 3.22019 3.13109 3.01057 2.84484 2.61141 2.27124 1.75048 0.892024 -0.704095 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.28946234468698e-19 2.7151606763407795e-19 3.1347386932527e-19 3.6203103657190796e-19 3.8864319046264797e-19 4.1182989070989597e-19 4.3219996443457197e-19 4.50182794974588e-19 4.661004198333779e-19 4.80197972035944e-19 4.92670917131634e-19 5.03674666253946e-19 5.133389957102339e-19 5.2177285351161e-19 5.290691659028459e-19 5.35306439539008e-19 5.40551965838724e-19 5.44866627514086e-19 5.48301694217382e-19 5.509068334242659e-19 5.527237017272219e-19 5.537891491888319e-19 5.5413682151841e-19 5.539685929718399e-19 5.534110355032079e-19 5.52377631574278e-19 5.50751422290768e-19 5.4838500740235e-19 5.450893300662119e-19 5.40608042020914e-19 5.34599879643414e-19 5.26593803003316e-19 5.159313175040459e-19 5.01655923695106e-19 4.82346490902138e-19 4.55793617546856e-19 4.1839400837939394e-19 3.63892765820616e-19 2.80457815428432e-19 1.429180009767216e-19 -1.12808455711623e-19 ] } }