{ "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" [ "Pd" "Pd" ] } "a" { "source-value" [ 4.58986 4.282323 4.091724 3.953244 3.844415 3.754752 3.678505 3.612177 3.553481 3.500841 3.453123 3.409485 3.369285 3.332019 3.297288 3.264769 3.234198 3.205354 3.178052 3.152136 3.127472 3.103944 3.081453 3.05991 3.045244 3.029809 3.01352 2.996276 2.977958 2.958423 2.9375 2.914974 2.89058 2.86398 2.834735 2.802259 2.765751 2.724063 2.67548 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.58986e-10 4.282323e-10 4.0917240000000004e-10 3.9532440000000004e-10 3.8444150000000003e-10 3.754752e-10 3.678505e-10 3.612177e-10 3.5534810000000003e-10 3.500841e-10 3.4531230000000003e-10 3.4094850000000004e-10 3.3692850000000003e-10 3.332019e-10 3.297288e-10 3.264769e-10 3.2341980000000005e-10 3.205354e-10 3.1780520000000003e-10 3.152136e-10 3.127472e-10 3.103944e-10 3.081453e-10 3.05991e-10 3.045244e-10 3.0298090000000005e-10 3.01352e-10 2.996276e-10 2.977958e-10 2.958423e-10 2.9375e-10 2.914974e-10 2.89058e-10 2.8639800000000005e-10 2.834735e-10 2.802259e-10 2.765751e-10 2.724063e-10 2.67548e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.76731 2.64508 3.41834 4.12646 4.78478 5.40275 5.98406 6.53056 7.04397 7.52535 7.9759 8.39519 8.78322 9.14083 9.46807 9.76427 10.0279 10.2584 10.4552 10.6177 10.7454 10.8379 10.894 10.9128 10.9033 10.8714 10.8108 10.7132 10.5672 10.3574 10.0622 9.65122 9.08085 8.28609 7.16754 5.56589 3.21555 -0.354177 -6.05381 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.831542763706048e-19 4.2378853361456644e-19 5.476784429945473e-19 6.611317738666368e-19 7.666062651671424e-19 8.656159738027201e-19 9.58752102946445e-19 1.046311055273165e-18 1.1285684051616577e-18 1.205693983333728e-18 1.2778800509838722e-18 1.3450577145173952e-18 1.4072269739342978e-18 1.4645224120707264e-18 1.5169520398097859e-18 1.5644085113178816e-18 1.6066466935720323e-18 1.643576864681472e-18 1.675107700578816e-18 1.701143070666816e-18 1.721602866114432e-18 1.736422999856832e-18 1.74541121069952e-18 1.748423302746624e-18 1.746901234956864e-18 1.741790291536512e-18 1.7320811012144641e-18 1.7164438573954562e-18 1.693052078731776e-18 1.659438413227392e-18 1.6121421593813762e-18 1.5462959046197378e-18 1.4549125566991681e-18 1.3275779675844671e-18 1.1483665016648832e-18 8.91753883194451e-19 5.15187903301344e-19 -5.674541090250817e-20 -9.699272848765249e-19 ] } }