{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" [ 4.96053 4.628156 4.422164 4.2725 4.154882 4.057978 3.975573 3.903888 3.840452 3.783561 3.731989 3.684827 3.64138 3.601104 3.563569 3.528424 3.495384 3.46421 3.434703 3.406694 3.380038 3.35461 3.330302 3.30702 3.29117 3.274489 3.256884 3.238247 3.21845 3.197338 3.174725 3.15038 3.124016 3.095268 3.063661 3.028563 2.989106 2.944052 2.891546 2.828624 2.750106 2.64562 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.960530000000001e-10 4.628156e-10 4.4221640000000004e-10 4.2725e-10 4.1548819999999997e-10 4.0579780000000006e-10 3.975573e-10 3.903888e-10 3.840452e-10 3.783561e-10 3.731989e-10 3.684827e-10 3.64138e-10 3.601104e-10 3.5635690000000004e-10 3.528424e-10 3.495384e-10 3.4642100000000004e-10 3.434703e-10 3.406694e-10 3.380038e-10 3.35461e-10 3.330302e-10 3.30702e-10 3.29117e-10 3.274489e-10 3.256884e-10 3.238247e-10 3.21845e-10 3.197338e-10 3.174725e-10 3.15038e-10 3.124016e-10 3.095268e-10 3.0636610000000005e-10 3.0285630000000004e-10 2.989106e-10 2.9440520000000004e-10 2.891546e-10 2.8286240000000003e-10 2.7501060000000005e-10 2.6456200000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ -4.55921 -4.68129 -4.65894 -4.59159 -4.50884 -4.42226 -4.33708 -4.25579 -4.17959 -4.10905 -4.04435 -3.98552 -3.93245 -3.88499 -3.84295 -3.80613 -3.77434 -3.74736 -3.72501 -3.7071 -3.69345 -3.6839 -3.67827 -3.67643 -3.67732 -3.68029 -3.6858 -3.69447 -3.7071 -3.72473 -3.74871 -3.78088 -3.82376 -3.88087 -3.95728 -4.06053 -4.20222 -4.40119 -4.68986 -5.12888 -5.84545 -7.15722 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -7.304659671317569e-19 -7.500253393184832e-19 -7.464444745709953e-19 -7.356538150299072e-19 -7.223958034927873e-19 -7.085241583099007e-19 -6.948768178539265e-19 -6.818527241034433e-19 -6.696441382529473e-19 -6.583423843698241e-19 -6.47976301633248e-19 -6.385506965730817e-19 -6.30047945246496e-19 -6.224440150041792e-19 -6.157084644903361e-19 -6.0980925017255045e-19 -6.047159306950272e-19 -6.0039325817210885e-19 -5.968123934246209e-19 -5.939428950967681e-19 -5.917559240093761e-19 -5.90225845336512e-19 -5.893238198990016e-19 -5.890290194007744e-19 -5.891716131200256e-19 -5.896474595764032e-19 -5.90530258894464e-19 -5.919193460246976e-19 -5.939428950967681e-19 -5.967675324792384e-19 -6.006095520159168e-19 -6.057637542050304e-19 -6.126338875550208e-19 -6.217839182364096e-19 -6.340261497959424e-19 -6.505686234057024e-19 -6.732698639458176e-19 -7.051483721698752e-19 -7.513984046825089e-19 -8.217371626888704e-19 -9.36544332805536e-19 -1.1467130553922176e-18 ] } }