{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0.273088 0.810394 0.043466 ] [ 0.043466 0.273088 0.810394 ] [ 0.726912 0.310394 0.456534 ] [ 0.226912 0.189606 0.543466 ] [ 0.456534 0.726912 0.310394 ] [ 0.189606 0.543466 0.226912 ] [ 0.310394 0.456534 0.726912 ] [ 0.810394 0.043466 0.273088 ] [ 0.310394 0.043466 0.226912 ] [ 0.226912 0.310394 0.043466 ] [ 0.043466 0.226912 0.310394 ] [ 0.456534 0.773088 0.810394 ] [ 0.543466 0.226912 0.189606 ] [ 0.956534 0.726912 0.189606 ] [ 0.273088 0.689606 0.543466 ] [ 0.773088 0.810394 0.456534 ] [ 0.543466 0.273088 0.689606 ] [ 0.810394 0.456534 0.773088 ] [ 0.689606 0.543466 0.273088 ] [ 0.189606 0.956534 0.726912 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.956534 0.773088 0.689606 ] [ 0.773088 0.689606 0.956534 ] [ 0.689606 0.956534 0.773088 ] [ 0.726912 0.189606 0.956534 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.197944 0.567674 0.947546 ] [ 0.947546 0.197944 0.567674 ] [ 0.802056 0.067674 0.552454 ] [ 0.302056 0.432326 0.447546 ] [ 0.552454 0.802056 0.067674 ] [ 0.432326 0.447546 0.302056 ] [ 0.067674 0.552454 0.802056 ] [ 0.567674 0.947546 0.197944 ] [ 0.067674 0.947546 0.302056 ] [ 0.302056 0.067674 0.947546 ] [ 0.947546 0.302056 0.067674 ] [ 0.552454 0.697944 0.567674 ] [ 0.802056 0.432326 0.052454 ] [ 0.447546 0.302056 0.432326 ] [ 0.197944 0.932326 0.447546 ] [ 0.697944 0.567674 0.552454 ] [ 0.447546 0.197944 0.932326 ] [ 0.567674 0.552454 0.697944 ] [ 0.932326 0.447546 0.197944 ] [ 0.432326 0.052454 0.802056 ] [ 0.304612 0.304612 0.304612 ] [ 0.195388 0.695388 0.804612 ] [ 0.804612 0.195388 0.695388 ] [ 0.695388 0.804612 0.195388 ] [ 0.695388 0.695388 0.695388 ] [ 0.804612 0.304612 0.195388 ] [ 0.195388 0.804612 0.304612 ] [ 0.304612 0.195388 0.804612 ] [ 0.052454 0.697944 0.932326 ] [ 0.697944 0.932326 0.052454 ] [ 0.052454 0.802056 0.432326 ] [ 0.932326 0.052454 0.697944 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Li" "Li" "Li" "Li" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" 12.561309 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.42103457859375 "source-unit" "eV" } }