{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.42239 5.05907 4.8339 4.670301 4.541732 4.435806 4.345729 4.267369 4.198027 4.135839 4.079466 4.027913 3.98042 3.936395 3.895365 3.856948 3.820831 3.786755 3.754501 3.723884 3.694746 3.666951 3.64038 3.61493 3.597604 3.579369 3.560125 3.539753 3.518112 3.495034 3.470315 3.443703 3.414885 3.38346 3.348909 3.310543 3.267412 3.218162 3.160766 3.091985 3.006156 2.89194 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.422390000000001e-10 5.05907e-10 4.8339e-10 4.670301e-10 4.541732e-10 4.4358060000000007e-10 4.345729000000001e-10 4.2673690000000006e-10 4.1980269999999997e-10 4.135839e-10 4.079466e-10 4.027913e-10 3.98042e-10 3.9363950000000004e-10 3.895365e-10 3.856948e-10 3.8208310000000005e-10 3.786755e-10 3.754501e-10 3.723884e-10 3.694746e-10 3.666951e-10 3.64038e-10 3.6149300000000004e-10 3.5976040000000003e-10 3.579369e-10 3.560125e-10 3.539753e-10 3.518112e-10 3.4950340000000003e-10 3.470315e-10 3.443703e-10 3.414885e-10 3.38346e-10 3.348909e-10 3.3105430000000004e-10 3.267412e-10 3.218162e-10 3.160766e-10 3.091985e-10 3.006156e-10 2.89194e-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" [ 0.905227 1.38701 1.74791 2.0288 2.25412 2.43982 2.59537 2.72648 2.83895 2.93841 3.02838 3.11026 3.18445 3.25104 3.31019 3.36206 3.40682 3.44463 3.47565 3.50013 3.5184 3.53085 3.53796 3.54022 3.53916 3.53567 3.52926 3.51924 3.50475 3.48463 3.45731 3.42067 3.37164 3.30578 3.2165 3.0939 2.92277 2.67904 2.32074 1.7637 0.816678 -1.01821 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4503335359169217e-19 2.222234994815808e-19 2.800460537262528e-19 3.25049592827904e-19 3.611498364477696e-19 3.9090225629602564e-19 4.1582411363256963e-19 4.368302513078784e-19 4.54849931762016e-19 4.707851804324928e-19 4.851999634898304e-19 4.983185856609408e-19 5.10205134010656e-19 5.208740281285633e-19 5.303509028405952e-19 5.386613929726849e-19 5.458327355273857e-19 5.518905653306304e-19 5.56860517208352e-19 5.607826455760704e-19 5.637098222622721e-19 5.657045321551681e-19 5.668436797325569e-19 5.672057716488577e-19 5.670359409270528e-19 5.664767812863937e-19 5.654497860724608e-19 5.638444050984192e-19 5.6152285117488e-19 5.582992718138304e-19 5.539221252858048e-19 5.480517501471936e-19 5.401962781754113e-19 5.296443429508224e-19 5.1534011008032e-19 4.95697424709312e-19 4.682793761975616e-19 4.2922952541880324e-19 3.7182353709553917e-19 2.82575890610496e-19 1.3084623983217026e-19 -1.6313522570647682e-19 ] } }