{ "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" [ "Zn" "Zn" ] } "a" { "source-value" [ 4.5882 4.280774 4.090243 3.951812 3.843023 3.753392 3.677173 3.610868 3.552193 3.499572 3.451872 3.40825 3.368063 3.330811 3.296093 3.263586 3.233025 3.204192 3.1769 3.150993 3.126337 3.102818 3.080335 3.0588 3.04414 3.02871 3.012426 2.995188 2.976877 2.95735 2.936434 2.913916 2.889531 2.862941 2.833706 2.801242 2.764746 2.723074 2.674508 2.616309 2.543684 2.44704 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.5881999999999997e-10 4.2807740000000003e-10 4.0902430000000003e-10 3.951812e-10 3.843023e-10 3.753392e-10 3.677173e-10 3.610868e-10 3.552193e-10 3.4995720000000004e-10 3.451872e-10 3.40825e-10 3.368063e-10 3.3308110000000004e-10 3.296093e-10 3.263586e-10 3.2330250000000003e-10 3.204192e-10 3.1769e-10 3.150993e-10 3.1263370000000003e-10 3.1028180000000004e-10 3.080335e-10 3.0588000000000003e-10 3.04414e-10 3.0287099999999997e-10 3.0124260000000004e-10 2.9951880000000005e-10 2.976877e-10 2.95735e-10 2.9364340000000003e-10 2.913916e-10 2.889531e-10 2.862941e-10 2.833706e-10 2.801242e-10 2.7647460000000005e-10 2.723074e-10 2.674508e-10 2.6163090000000003e-10 2.543684e-10 2.44704e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.166056 0.0816445 0.0237807 -0.00911091 -0.0460471 0.183905 0.503806 0.661911 0.732052 0.76193 0.78275 0.808346 0.834178 0.85571 0.871815 0.88303 0.890885 0.896537 0.902188 0.907655 0.912247 0.916974 0.921105 0.922829 0.921784 0.918111 0.910907 0.899141 0.881682 0.857439 0.826256 0.787984 0.742046 0.687411 0.623051 0.546704 0.447166 0.302243 0.0733991 -0.291581 -2.92988 -7.58009 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6605104094356484e-20 1.308089091169056e-20 3.810088156625856e-21 -1.4597286996212928e-21 -7.377558707563968e-21 2.9464829144822406e-20 8.071861946187648e-20 1.0604983292503489e-19 1.1728765996098818e-19 1.2207464326861442e-19 1.2541037499312e-19 1.2951130627171968e-19 1.3365004891857026e-19 1.370998556184768e-19 1.396801610662752e-19 1.414770021465024e-19 1.427355118821408e-19 1.4364106210821696e-19 1.4454645211663104e-19 1.454223620752224e-19 1.4615808157949378e-19 1.4691543046814593e-19 1.475772896301984e-19 1.4785350487962434e-19 1.4768607742275074e-19 1.4709759794993089e-19 1.4594338991230657e-19 1.4405826890027327e-19 1.4126102873801856e-19 1.3737687195621312e-19 1.323808045995725e-19 1.2624895423644674e-19 1.188888752758157e-19 1.101353833080749e-19 9.982377457660608e-20 8.759163672978432e-20 7.164389108166528e-20 4.842466684004544e-20 1.1759832200776127e-20 -4.671642612694848e-20 -4.6941852377495035e-19 -1.2144642981559873e-18 ] } }