{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.55073 5.178811 4.948311 4.78084 4.649228 4.540795 4.448586 4.368372 4.297388 4.233728 4.176021 4.123248 4.074631 4.029564 3.987562 3.948236 3.911265 3.876382 3.843365 3.812023 3.782196 3.753742 3.726542 3.70049 3.682754 3.664088 3.644388 3.623533 3.601381 3.577757 3.552453 3.525211 3.49571 3.463542 3.428174 3.388899 3.344747 3.294332 3.235578 3.16517 3.077309 2.96039 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.55073e-10 5.178811e-10 4.948311000000001e-10 4.780840000000001e-10 4.649228e-10 4.5407950000000004e-10 4.4485859999999997e-10 4.368372e-10 4.297388e-10 4.233728e-10 4.1760210000000003e-10 4.1232480000000006e-10 4.074631e-10 4.0295639999999996e-10 3.987562e-10 3.948236e-10 3.9112650000000005e-10 3.876382e-10 3.843365e-10 3.812023e-10 3.782196e-10 3.753742e-10 3.726542e-10 3.70049e-10 3.6827540000000003e-10 3.664088e-10 3.644388e-10 3.623533e-10 3.601381e-10 3.577757e-10 3.552453e-10 3.5252110000000003e-10 3.49571e-10 3.463542e-10 3.428174e-10 3.388899e-10 3.344747e-10 3.294332e-10 3.235578e-10 3.16517e-10 3.077309e-10 2.96039e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0.00794446 0.102008 0.269969 0.455561 0.627136 0.774329 0.898825 1.00622 1.099 1.17883 1.24715 1.30523 1.35417 1.39494 1.42835 1.45516 1.47598 1.49139 1.50189 1.5079 1.50983 1.50892 1.50596 1.50055 1.4922 1.4803 1.46406 1.4425 1.4143 1.37776 1.33056 1.26952 1.19257 1.09653 0.962081 0.746923 0.362751 -0.382911 -1.93689 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 1.2728428076880768e-21 1.6343483273456642e-20 4.3253802014075525e-20 7.298891835482688e-20 1.0047826372620289e-19 1.2406118206074434e-19 1.44007640119056e-19 1.6121421593813759e-19 1.7607921062592002e-19 1.8886938658976643e-19 1.99815457263072e-19 2.091208990766784e-19 2.169619514588736e-19 2.234940255418752e-19 2.28846897631968e-19 2.331423331523328e-19 2.364780648768384e-19 2.389470190494912e-19 2.406293045013312e-19 2.4159221265043203e-19 2.419014327382464e-19 2.417556346657536e-19 2.412813903859968e-19 2.40414612834144e-19 2.3907679535577603e-19 2.37170205177024e-19 2.345682703448448e-19 2.311139775504e-19 2.26595839479744e-19 2.207414861073408e-19 2.131792124571648e-19 2.0339952636380162e-19 1.910707772667456e-19 1.756834730005824e-19 1.5414236855158849e-19 1.1967025681377984e-19 5.811911713718208e-20 -6.134910520471489e-20 -3.103239875061312e-19 ] } }