{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.19046 8.574665 8.193019 7.915733 7.69782 7.518285 7.365612 7.232799 7.11527 7.009866 6.914319 6.826941 6.746445 6.671826 6.602283 6.537169 6.475955 6.418199 6.363531 6.311638 6.262252 6.215141 6.170106 6.12697 6.083362 6.038424 5.992071 5.944213 5.894747 5.843563 5.790537 5.73553 5.67839 5.618943 5.556997 5.492331 5.424696 5.353805 5.279331 5.20089 5.118036 5.030244 4.936886 4.83721 4.730297 4.615014 4.489938 4.35325 4.202571 4.034705 3.845223 3.627723 3.372455 3.06349 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.19046e-10 8.574665e-10 8.193019e-10 7.915733000000001e-10 7.69782e-10 7.518285e-10 7.365612e-10 7.232799e-10 7.11527e-10 7.009866e-10 6.914319e-10 6.826941e-10 6.746444999999999e-10 6.671826000000001e-10 6.602283e-10 6.537168999999999e-10 6.475955e-10 6.418199e-10 6.363531e-10 6.311638000000001e-10 6.262252e-10 6.215141e-10 6.170106e-10 6.12697e-10 6.083362e-10 6.038424e-10 5.992071e-10 5.944213000000001e-10 5.894747e-10 5.843563e-10 5.790537e-10 5.73553e-10 5.678390000000001e-10 5.618943e-10 5.556997000000001e-10 5.492331e-10 5.424696e-10 5.353805e-10 5.279331e-10 5.20089e-10 5.118036e-10 5.030243999999999e-10 4.936886e-10 4.83721e-10 4.730297000000001e-10 4.6150140000000004e-10 4.4899380000000004e-10 4.3532500000000005e-10 4.202571e-10 4.034705e-10 3.845223e-10 3.6277230000000004e-10 3.372455e-10 3.0634899999999997e-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" [ 2.16743 2.2763 2.40199 2.52949 2.64588 2.74902 2.84078 2.9232 2.99754 3.06443 3.12421 3.17717 3.22366 3.26406 3.29882 3.32837 3.35315 3.37356 3.39001 3.40284 3.41238 3.41891 3.42267 3.42389 3.4226 3.41846 3.41102 3.3997 3.3838 3.36251 3.33479 3.29939 3.25478 3.19906 3.12982 3.04398 2.93749 2.80498 2.63937 2.43133 2.16876 1.83576 1.41088 0.863579 0.147531 -0.811493 -2.13661 -4.03648 -6.87331 -11.3193 -18.7777 -32.5686 -61.7978 -138.327 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.47260570183062e-19 3.6470346719741997e-19 3.84841225310166e-19 4.05268977393666e-19 4.23916711236792e-19 4.40441561039868e-19 4.55143133833452e-19 4.6834827365088e-19 4.802588547480359e-19 4.90975814252862e-19 5.00553626170914e-19 5.090387536245779e-19 5.16487272796044e-19 5.22960066397404e-19 5.28529232377188e-19 5.332636643306579e-19 5.372338580297099e-19 5.405039005397039e-19 5.43139481102634e-19 5.45195073724056e-19 5.46723550232892e-19 5.47769771574894e-19 5.483721899892779e-19 5.48567655538626e-19 5.4836097475284e-19 5.47697673626364e-19 5.46505654210668e-19 5.4469199026098e-19 5.421445294129199e-19 5.38733495359134e-19 5.34292261729686e-19 5.28620556445326e-19 5.21473246481052e-19 5.125459182764039e-19 5.01452447262588e-19 4.87699363036332e-19 4.70637784060866e-19 4.49407341483732e-19 4.2287369424805795e-19 3.8954201155432197e-19 3.474736596753839e-19 2.9412117776318397e-19 2.2604789693779197e-19 1.383606095413086e-19 2.3637072099065397e-20 -1.300155123254562e-19 -3.42322661797074e-19 -6.46715393960832e-19 -1.101225668023854e-18 -1.81355179732362e-18 -3.00851921802618e-18 -5.21806499220924e-18 -9.90109911926052e-18 -2.2162428725131797e-17 ] } }