{ "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" [ "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 6.02364 5.620034 5.369895 5.188156 5.045331 4.927659 4.827593 4.740545 4.663514 4.59443 4.531806 4.474537 4.421778 4.372871 4.327291 4.284614 4.244493 4.206638 4.170808 4.136796 4.104427 4.073549 4.044032 4.01576 3.996513 3.976256 3.954878 3.932247 3.908207 3.882571 3.855111 3.825549 3.793535 3.758626 3.720245 3.677625 3.629711 3.575001 3.511242 3.434835 3.339489 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.02364e-10 5.620034000000001e-10 5.369895e-10 5.188156e-10 5.045331e-10 4.927659000000001e-10 4.827593000000001e-10 4.740545e-10 4.663514000000001e-10 4.5944300000000004e-10 4.5318059999999996e-10 4.474537e-10 4.421778e-10 4.372871e-10 4.327291e-10 4.2846140000000007e-10 4.2444930000000005e-10 4.206638e-10 4.170808e-10 4.1367960000000004e-10 4.1044270000000007e-10 4.073549e-10 4.0440319999999995e-10 4.0157600000000004e-10 3.996513e-10 3.976256e-10 3.954878e-10 3.932247e-10 3.908207e-10 3.882571e-10 3.855111e-10 3.825549e-10 3.793535e-10 3.7586260000000004e-10 3.720245e-10 3.677625e-10 3.6297110000000003e-10 3.575001e-10 3.511242e-10 3.434835e-10 3.339489e-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" [ 1.16116 1.735 2.2428 2.70751 3.13926 3.54317 3.9239 4.28218 4.61875 4.93509 5.23089 5.50617 5.76116 5.99603 6.21009 6.40308 6.57475 6.72519 6.85351 6.9593 7.04211 7.10182 7.13862 7.151 7.14477 7.12379 7.08387 7.01943 6.92302 6.78447 6.58972 6.31892 5.94352 5.42163 4.687 3.63522 2.09189 -0.253913 -3.99688 -10.41 -22.639 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.860383405008128e-19 2.7797764370880003e-19 3.59336172513024e-19 4.337909222582208e-19 5.029648978612608e-19 5.676784137519936e-19 6.286780842357121e-19 6.860808682057345e-19 7.400053267320001e-19 7.906885819543872e-19 8.3808096639765115e-19 8.821856844150336e-19 9.23039586068813e-19 9.606699083615425e-19 9.949661011063872e-19 1.0258865077112066e-18 1.05339107376048e-18 1.0774942188437952e-18 1.0980533492419009e-18 1.115002775713344e-18 1.1282704003101889e-18 1.1378369969129857e-18 1.1437330068775297e-18 1.14571650153408e-18 1.1447183454993218e-18 1.1413569789488833e-18 1.1349610898786497e-18 1.1246366637342145e-18 1.1091900789330818e-18 1.0869919218518976e-18 1.0557895321618176e-18 1.0124025892705536e-18 9.522568789257218e-19 8.686408832627905e-19 7.509401821689601e-19 5.824264495464576e-19 3.351577251285312e-19 -4.068134723171904e-20 -6.403707692143104e-19 -1.6678658622528002e-18 -3.62716765182912e-18 ] } }