{ "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" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.30521 4.016745 3.837966 3.708073 3.605994 3.521891 3.450373 3.388158 3.333102 3.283726 3.238968 3.198036 3.160329 3.125374 3.092797 3.062295 3.03362 3.006564 2.980955 2.956647 2.933512 2.911443 2.890347 2.87014 2.849712 2.828661 2.806947 2.784528 2.761357 2.73738 2.71254 2.686772 2.660005 2.632158 2.603139 2.572847 2.541164 2.507955 2.473068 2.436323 2.397511 2.356385 2.312652 2.265959 2.215876 2.161873 2.103282 2.039251 1.968666 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.30521e-10 4.0167450000000006e-10 3.837966e-10 3.7080730000000005e-10 3.605994e-10 3.521891e-10 3.450373e-10 3.388158e-10 3.3331019999999997e-10 3.2837260000000003e-10 3.238968e-10 3.1980360000000003e-10 3.160329e-10 3.125374e-10 3.092797e-10 3.0622950000000003e-10 3.03362e-10 3.006564e-10 2.980955e-10 2.956647e-10 2.933512e-10 2.9114429999999996e-10 2.8903470000000003e-10 2.87014e-10 2.8497119999999997e-10 2.8286609999999997e-10 2.8069470000000004e-10 2.784528e-10 2.761357e-10 2.73738e-10 2.71254e-10 2.686772e-10 2.660005e-10 2.632158e-10 2.603139e-10 2.572847e-10 2.5411640000000004e-10 2.507955e-10 2.473068e-10 2.4363229999999997e-10 2.397511e-10 2.356385e-10 2.3126520000000001e-10 2.265959e-10 2.2158760000000002e-10 2.161873e-10 2.103282e-10 2.0392510000000003e-10 1.9686660000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.900151 1.34722 1.68267 1.95113 2.17554 2.36673 2.53562 2.68446 2.81505 2.92996 3.0312 3.11877 3.19169 3.25485 3.30913 3.35527 3.39395 3.42571 3.45151 3.474 3.4909 3.50261 3.50943 3.51164 3.5096 3.50281 3.48994 3.46991 3.44051 3.40066 3.34893 3.28315 3.20067 3.09828 2.97204 2.81709 2.62742 2.39545 2.11016 1.75842 1.3258 0.791292 0.126955 -0.70417 -1.74683 -3.06792 -4.77275 -7.00731 -9.97901 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.442200899271734e-19 2.15848440485748e-19 2.69593455673278e-19 3.1260548958964197e-19 3.4855993543323593e-19 3.7919195049868197e-19 4.06251111670308e-19 4.30097908690764e-19 4.510207333541699e-19 4.694313450554639e-19 4.8565178129808e-19 4.99682042082018e-19 5.113651140971459e-19 5.214844617174899e-19 5.30181076486842e-19 5.37573519476118e-19 5.4377073869643e-19 5.488592516860139e-19 5.529928674017339e-19 5.565961626516e-19 5.5930384116306e-19 5.611799900014739e-19 5.62272674465862e-19 5.626267555019759e-19 5.6229991146864e-19 5.61212033534154e-19 5.59150032206196e-19 5.559408724082939e-19 5.51230473104334e-19 5.448457992178439e-19 5.36557739490162e-19 5.2601862159171e-19 5.128038687144779e-19 4.96399182158952e-19 4.761733043313359e-19 4.513475773875059e-19 4.2095909317042793e-19 3.8379340179152993e-19 3.38084904600144e-19 2.81729943675828e-19 2.1241657813572e-19 1.2677895530711278e-19 2.0340433456947e-20 -1.1282047203637798e-19 -2.79873020957022e-19 -4.91534973898128e-19 -7.6467885299235e-19 -1.122694834919454e-18 -1.598813665245234e-18 ] } }