{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.45049 5.085287 4.858949 4.694502 4.565267 4.458792 4.368247 4.289482 4.21978 4.157269 4.100604 4.048784 4.001045 3.956791 3.915548 3.876932 3.840629 3.806376 3.773955 3.743179 3.71389 3.685951 3.659242 3.63366 3.616244 3.597915 3.578571 3.558094 3.536341 3.513144 3.488297 3.461548 3.43258 3.400992 3.366263 3.327698 3.284344 3.23484 3.177147 3.10801 3.021737 2.90693 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.450490000000001e-10 5.085287e-10 4.858949e-10 4.694502e-10 4.5652670000000006e-10 4.458792e-10 4.3682470000000005e-10 4.289482e-10 4.21978e-10 4.1572690000000007e-10 4.100604e-10 4.0487840000000006e-10 4.0010450000000003e-10 3.956791e-10 3.915548e-10 3.876932e-10 3.840629e-10 3.8063760000000005e-10 3.773955e-10 3.743179e-10 3.7138900000000004e-10 3.6859510000000004e-10 3.659242e-10 3.63366e-10 3.616244e-10 3.597915e-10 3.5785710000000005e-10 3.558094e-10 3.536341e-10 3.513144e-10 3.4882970000000003e-10 3.461548e-10 3.4325800000000005e-10 3.400992e-10 3.366263e-10 3.327698e-10 3.2843440000000003e-10 3.2348400000000004e-10 3.1771470000000003e-10 3.10801e-10 3.021737e-10 2.9069300000000003e-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" [ -5.10703e-15 0.07182 0.472174 0.936701 1.33189 1.63765 1.86498 2.02955 2.14642 2.22884 2.28773 2.33154 2.3663 2.39598 2.4229 2.44819 2.47213 2.49451 2.51483 2.53247 2.54682 2.55738 2.56402 2.56631 2.56513 2.56115 2.55356 2.54133 2.52316 2.49736 2.46172 2.41323 2.34776 2.25943 2.13948 1.97438 1.74211 1.40508 0.895801 0.0876576 -1.26547 -3.53539 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -8.182364067724224e-34 1.15068324905856e-20 7.565061437496192e-20 1.5007604428799809e-19 2.133923019477312e-19 2.62380454305312e-19 2.9880273542595844e-19 3.2516975607446403e-19 3.438943942417536e-19 3.570995339503872e-19 3.665347520702784e-19 3.735538878460032e-19 3.79123053779904e-19 3.8387831399043845e-19 3.88191373453632e-19 3.922432781276352e-19 3.9607888895783043e-19 3.996645602351808e-19 4.029201831286464e-19 4.057464226877376e-19 4.080455461385856e-19 4.0973744465015045e-19 4.1080128992636164e-19 4.1116818837252485e-19 4.109791315312704e-19 4.10341465236192e-19 4.0912541318100483e-19 4.071659511737664e-19 4.042547962537728e-19 4.0012118057210884e-19 3.9441102309557766e-19 3.866420686613184e-19 3.761526183249408e-19 3.620005922334144e-19 3.427824836669184e-19 3.1633054765751043e-19 2.7911679128618885e-19 2.251186326353664e-19 1.4352314190892608e-19 1.404429573554381e-20 -2.0275064483237762e-19 -5.664319203410113e-19 ] } }