{ "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" [ "Be" "Be" "Be" "Be" ] } "a" { "source-value" [ 4.84362 4.51908 4.317942 4.171805 4.05696 3.96234 3.881877 3.811881 3.74994 3.69439 3.644034 3.597983 3.55556 3.516233 3.479582 3.445266 3.413004 3.382565 3.353754 3.326405 3.300377 3.275549 3.251814 3.22908 3.206097 3.182414 3.157985 3.132762 3.106692 3.079717 3.05177 3.02278 2.992666 2.961336 2.928688 2.894607 2.858962 2.821601 2.78235 2.74101 2.697343 2.651074 2.601872 2.54934 2.492994 2.432237 2.366318 2.29428 2.214868 2.126398 2.026535 1.911907 1.777373 1.61454 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.84362e-10 4.51908e-10 4.3179420000000006e-10 4.171805e-10 4.05696e-10 3.96234e-10 3.8818769999999997e-10 3.811881e-10 3.74994e-10 3.69439e-10 3.644034e-10 3.597983e-10 3.55556e-10 3.5162330000000004e-10 3.4795820000000005e-10 3.4452660000000005e-10 3.413004e-10 3.382565e-10 3.353754e-10 3.326405e-10 3.300377e-10 3.275549e-10 3.251814e-10 3.22908e-10 3.2060970000000005e-10 3.182414e-10 3.157985e-10 3.132762e-10 3.106692e-10 3.079717e-10 3.05177e-10 3.02278e-10 2.992666e-10 2.9613360000000005e-10 2.928688e-10 2.894607e-10 2.858962e-10 2.8216009999999997e-10 2.78235e-10 2.74101e-10 2.6973430000000003e-10 2.6510740000000003e-10 2.6018720000000005e-10 2.54934e-10 2.492994e-10 2.432237e-10 2.3663180000000005e-10 2.29428e-10 2.2148680000000002e-10 2.1263980000000002e-10 2.026535e-10 1.911907e-10 1.7773730000000002e-10 1.61454e-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" [ 1.42665 1.83231 2.11415 2.32936 2.50161 2.64342 2.76228 2.86311 2.94934 3.02346 3.08735 3.14245 3.18993 3.23071 3.26555 3.29508 3.31986 3.34032 3.35685 3.36981 3.37948 3.38611 3.38995 3.39119 3.38987 3.38568 3.37815 3.36677 3.35092 3.3299 3.30285 3.26876 3.22643 3.17441 3.11094 3.0339 2.94068 2.82805 2.69199 2.52745 2.32798 2.0853 1.78862 1.42362 0.971044 0.404429 -0.313399 -1.23618 -2.44508 -4.06817 -6.31783 -9.56957 -14.5507 -22.8867 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2857452948961e-19 2.93568426824454e-19 3.3872417307710995e-19 3.7320461641742395e-19 4.0080210893807397e-19 4.2352257578482797e-19 4.42566047256552e-19 4.58720794257174e-19 4.725363633721559e-19 4.84411696583364e-19 4.9464800309799e-19 5.0347599635133e-19 5.11083131009562e-19 5.1761680732301395e-19 5.2319879071587e-19 5.27930018316072e-19 5.31900212015124e-19 5.35178265408288e-19 5.3782666338429e-19 5.39903084301954e-19 5.414523891070319e-19 5.425146322153739e-19 5.4312986804283e-19 5.43328537945446e-19 5.43117050629758e-19 5.4244573862011195e-19 5.4123929961471e-19 5.394160226052179e-19 5.3687657264032795e-19 5.335087973556599e-19 5.2917490956069e-19 5.23713089415384e-19 5.169310757236619e-19 5.08596552873594e-19 4.984275377775959e-19 4.8608436898926e-19 4.71148878407112e-19 4.5310356297837e-19 4.31304347696166e-19 4.0494213336032997e-19 3.72983516041932e-19 3.3410189348802e-19 2.86568517110508e-19 2.28089069969508e-19 1.555784007385896e-19 6.479666939119859e-20 -5.0212055491896594e-20 -1.98057871141812e-19 -3.9174500442607194e-19 -6.51792691713978e-19 -1.0122279603584219e-18 -1.533214145142738e-18 -2.33127915483438e-18 -3.66685359693678e-18 ] } }