{ "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" [ -7.30465973149914e-19 -7.500253454977859e-19 -7.46444480720796e-19 -7.35653821090806e-19 -7.22395809444456e-19 -7.085241641472839e-19 -6.94876823578872e-19 -6.81852729721086e-19 -6.69644143770006e-19 -6.583423897937699e-19 -6.479763069717899e-19 -6.38550701833968e-19 -6.300479504373299e-19 -6.22444020132366e-19 -6.1570846956303e-19 -6.0980925519664195e-19 -6.04715935677156e-19 -6.00393263118624e-19 -5.96812398341634e-19 -5.9394289999014e-19 -5.917559288847299e-19 -5.902258501992599e-19 -5.89323824754318e-19 -5.890290242536619e-19 -5.89171617974088e-19 -5.896474644343859e-19 -5.905302637597199e-19 -5.91919350901398e-19 -5.9394289999014e-19 -5.96767537395882e-19 -6.006095569642139e-19 -6.057637591957919e-19 -6.126338926023839e-19 -6.217839233591579e-19 -6.340261550195519e-19 -6.5056862876560195e-19 -6.732698694927479e-19 -7.051483779794459e-19 -7.51398410873124e-19 -8.217371694589919e-19 -9.365443405215298e-19 -1.1467130648397479e-18 ] } }