{ "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" [ 4.32975 4.039641 3.859843 3.72921 3.626548 3.541966 3.47004 3.40747 3.352101 3.302444 3.25743 3.216265 3.178343 3.143189 3.110426 3.07975 3.050911 3.023702 2.997947 2.9735 2.950233 2.928039 2.906822 2.8865 2.872665 2.858105 2.842739 2.826472 2.809192 2.790764 2.771027 2.749777 2.726766 2.701673 2.674085 2.64345 2.60901 2.569685 2.523855 2.468934 2.4004 2.3092 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.32975e-10 4.039641e-10 3.859843e-10 3.7292100000000005e-10 3.626548e-10 3.5419660000000003e-10 3.47004e-10 3.40747e-10 3.3521010000000006e-10 3.302444e-10 3.25743e-10 3.2162650000000003e-10 3.178343e-10 3.143189e-10 3.110426e-10 3.07975e-10 3.050911e-10 3.023702e-10 2.997947e-10 2.9735e-10 2.950233e-10 2.928039e-10 2.906822e-10 2.8865e-10 2.872665e-10 2.858105e-10 2.842739e-10 2.826472e-10 2.809192e-10 2.7907639999999997e-10 2.7710270000000004e-10 2.749777e-10 2.7267660000000004e-10 2.7016730000000003e-10 2.674085e-10 2.6434500000000003e-10 2.60901e-10 2.5696850000000003e-10 2.523855e-10 2.468934e-10 2.4004e-10 2.3092000000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.968012 1.33509 1.62655 1.86584 2.06636 2.23756 2.3854 2.51392 2.62689 2.72638 2.8134 2.88928 2.95513 3.01183 3.06017 3.10374 3.14109 3.17198 3.19991 3.22212 3.23893 3.25062 3.25747 3.2597 3.25862 3.25506 3.24844 3.23805 3.22295 3.20194 3.17342 3.13682 3.08941 3.02586 2.94039 2.82437 2.66445 2.44571 2.12736 1.63861 0.831056 -0.666504 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5509261950538498e-19 2.1390499846638722e-19 2.60602038256224e-19 2.9894052261534723e-19 3.310673682156288e-19 3.5849663196372484e-19 3.8218321112563204e-19 4.0277438505615363e-19 4.2087417434133123e-19 4.368142295416704e-19 4.507563704958721e-19 4.6291368669450245e-19 4.734640197424705e-19 4.825483611824064e-19 4.902932829673536e-19 4.972739665041792e-19 5.032580961828673e-19 5.082072197645185e-19 5.126820990664128e-19 5.162405333412096e-19 5.189337922407744e-19 5.2080673671048965e-19 5.219042276957377e-19 5.222615130821761e-19 5.220884780071296e-19 5.215181031301248e-19 5.204574622071553e-19 5.18792800698144e-19 5.16373514000736e-19 5.130073409204352e-19 5.084379331979136e-19 5.025739667657856e-19 4.949780474065728e-19 4.847962149813889e-19 4.711024114034112e-19 4.525139582488897e-19 4.2689194972905604e-19 3.918459383256768e-19 3.408406456025088e-19 2.625342632609088e-19 1.3314984937755648e-19 -1.0678571264696832e-19 ] } }