{ "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" [ 4.46355 4.164476 3.979121 3.844452 3.738617 3.651422 3.577273 3.51277 3.455689 3.404498 3.358093 3.315656 3.276561 3.240321 3.206546 3.174922 3.145192 3.117142 3.090591 3.065388 3.041403 3.018522 2.99665 2.9757 2.961438 2.946428 2.930586 2.913817 2.896003 2.877006 2.856658 2.834752 2.81103 2.785162 2.756721 2.725139 2.689635 2.649094 2.601848 2.54523 2.474578 2.38056 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.46355e-10 4.1644759999999995e-10 3.979121e-10 3.844452e-10 3.738617e-10 3.651422e-10 3.577273e-10 3.5127700000000003e-10 3.4556890000000004e-10 3.404498e-10 3.3580930000000004e-10 3.315656e-10 3.2765610000000003e-10 3.240321e-10 3.206546e-10 3.1749220000000004e-10 3.145192e-10 3.117142e-10 3.090591e-10 3.065388e-10 3.041403e-10 3.0185220000000003e-10 2.9966499999999997e-10 2.9757e-10 2.961438e-10 2.946428e-10 2.930586e-10 2.913817e-10 2.896003e-10 2.8770060000000004e-10 2.856658e-10 2.834752e-10 2.81103e-10 2.785162e-10 2.7567210000000004e-10 2.7251390000000003e-10 2.689635e-10 2.649094e-10 2.601848e-10 2.5452300000000004e-10 2.474578e-10 2.38056e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 2.55113 1.89685 1.80102 2.25862 2.58912 2.80203 2.9744 3.1473 3.32951 3.52037 3.71936 3.92143 4.11465 4.28735 4.43374 4.55309 4.64855 4.72582 4.79082 4.84779 4.89765 4.93821 4.9656 4.97562 4.97014 4.95101 4.91351 4.8519 4.75957 4.62889 4.45109 4.21575 3.91036 3.51984 3.02548 2.40064 1.59624 0.513416 -1.01676 -3.27969 -6.03924 -4.17045 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.0873608426215042e-19 3.03908872316448e-19 2.885552137593216e-19 3.618708159271296e-19 4.148227532445696e-19 4.489346956780224e-19 4.76551414090752e-19 5.042530478643841e-19 5.334463080719808e-19 5.640254510565697e-19 5.959071636338688e-19 6.282823466103745e-19 6.59239603277472e-19 6.869091935186881e-19 7.103634570705792e-19 7.294854350398272e-19 7.447798130619841e-19 7.571598318109056e-19 7.675739798461057e-19 7.767015800548032e-19 7.84690032686112e-19 7.911884610600768e-19 7.955768228244481e-19 7.971822037984896e-19 7.963042110102912e-19 7.9323924713470085e-19 7.872310848067008e-19 7.77360074645952e-19 7.625671779061057e-19 7.416299338254913e-19 7.131432335076672e-19 6.7543760891376e-19 6.265087370911488e-19 5.639405356956672e-19 4.847353322697984e-19 3.8462492829573126e-19 2.5574584091857924e-19 8.225831119446528e-20 -1.6290291009646083e-19 -5.254642641471552e-19 -9.675929135400192e-19 -6.68179748821536e-19 ] } }