{ "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" [ "Cr" "Cr" ] } "a" { "source-value" [ 4.3269 4.036982 3.857302 3.726755 3.624161 3.539635 3.467756 3.405228 3.349894 3.30027 3.255286 3.214148 3.176251 3.14112 3.108379 3.077723 3.048903 3.021711 2.995974 2.971542 2.948291 2.926111 2.904908 2.8846 2.870775 2.856224 2.840867 2.824611 2.807343 2.788927 2.769203 2.747967 2.724971 2.699895 2.672325 2.64171 2.607293 2.567993 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3269000000000003e-10 4.036982e-10 3.857302e-10 3.726755e-10 3.624161e-10 3.539635e-10 3.467756e-10 3.4052280000000004e-10 3.349894e-10 3.3002699999999997e-10 3.255286e-10 3.214148e-10 3.176251e-10 3.14112e-10 3.108379e-10 3.077723e-10 3.048903e-10 3.021711e-10 2.995974e-10 2.971542e-10 2.9482910000000003e-10 2.926111e-10 2.904908e-10 2.8846e-10 2.8707750000000004e-10 2.8562240000000003e-10 2.840867e-10 2.824611e-10 2.807343e-10 2.7889270000000004e-10 2.769203e-10 2.747967e-10 2.724971e-10 2.699895e-10 2.672325e-10 2.64171e-10 2.6072929999999997e-10 2.567993e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.934434 1.38479 1.74187 2.03996 2.30284 2.55584 2.80735 3.02835 3.19493 3.31767 3.4181 3.50806 3.59046 3.66562 3.7345 3.79873 3.85959 3.91701 3.96943 4.0145 4.05007 4.075 4.08927 4.09374 4.09172 4.08534 4.07407 4.05719 4.03363 4.00179 3.95935 3.90297 3.82803 3.72815 3.59446 3.41429 3.16863 2.82721 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4971283208151558e-19 2.2186781809968596e-19 2.7907834134655797e-19 3.26837624629464e-19 3.68955643984056e-19 4.0949071282425596e-19 4.4978705734599e-19 4.8519516095739e-19 5.11884219326562e-19 5.31549335332278e-19 5.476399952675399e-19 5.62053176267004e-19 5.75255111731164e-19 5.87297071312308e-19 5.983328639673e-19 6.08623644487482e-19 6.183744914820059e-19 6.27574189714434e-19 6.359727996298619e-19 6.431938097193e-19 6.488927520064379e-19 6.52886978355e-19 6.55173284411718e-19 6.558894573671161e-19 6.555658176870479e-19 6.54543628994556e-19 6.52737975928038e-19 6.50033501769846e-19 6.462587736201419e-19 6.411574432174859e-19 6.3435780558279e-19 6.253247337202979e-19 6.133180220251019e-19 5.9731548180471e-19 5.75895982384764e-19 5.470295659699859e-19 5.07670494779142e-19 4.52968980141114e-19 ] } }