{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ta" "Ta" ] } "a" { "source-value" [ 5.61351 5.237384 5.004276 4.834911 4.70181 4.592151 4.498898 4.417777 4.34599 4.28161 4.22325 4.16988 4.120713 4.075136 4.032659 3.992889 3.955499 3.920222 3.886831 3.855135 3.82497 3.796195 3.768687 3.74234 3.724403 3.705526 3.685603 3.664513 3.64211 3.618219 3.592629 3.565079 3.535245 3.502712 3.466944 3.427226 3.382574 3.331589 3.27217 3.200965 3.112111 2.99387 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.61351e-10 5.237384e-10 5.004276000000001e-10 4.834911e-10 4.70181e-10 4.5921510000000003e-10 4.4988979999999997e-10 4.4177770000000004e-10 4.3459899999999997e-10 4.28161e-10 4.2232500000000004e-10 4.16988e-10 4.1207130000000006e-10 4.075136e-10 4.032659e-10 3.992889e-10 3.955499e-10 3.920222e-10 3.886831e-10 3.855135e-10 3.82497e-10 3.796195e-10 3.768687e-10 3.74234e-10 3.7244030000000005e-10 3.705526e-10 3.685603e-10 3.664513e-10 3.6421100000000004e-10 3.618219e-10 3.592629e-10 3.565079e-10 3.535245e-10 3.502712e-10 3.466944e-10 3.4272260000000003e-10 3.3825740000000003e-10 3.3315890000000003e-10 3.27217e-10 3.2009650000000003e-10 3.1121110000000004e-10 2.99387e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 5.16075 7.72394 9.98197 12.0498 13.9722 15.7767 17.4743 19.0701 20.5694 21.975 23.2907 24.5151 25.6482 26.6925 27.6481 28.513 29.2829 29.956 30.5308 31.0053 31.378 31.6482 31.812 31.867 31.8393 31.746 31.5691 31.284 30.8577 30.2451 29.383 28.1829 26.5174 24.1965 20.9302 16.2532 9.38952 -1.03462 -17.6788 -46.1983 -100.583 -224.457 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.2684329957936e-19 1.2375116088461952e-18 1.5992878963526978e-18 1.930590784531584e-18 2.2385932181141763e-18 2.5277059893375363e-18 2.7996914924845442e-18 3.055366837631808e-18 3.2955811783883525e-18 3.520783124208e-18 3.7315815022066566e-18 3.9277520076574084e-18 4.109294640560256e-18 4.2766099450704e-18 4.429713942954048e-18 4.56828619888704e-18 4.691637776922432e-18 4.79948028526848e-18 4.891573397432064e-18 4.967596678089024e-18 5.02730980074624e-18 5.070600613040256e-18 5.096844266088961e-18 5.105656237503361e-18 5.101218208263745e-18 5.08626990039168e-18 5.057927395969728e-18 5.01224934051072e-18 4.9439485511660165e-18 4.8457992113758086e-18 4.7076755648966404e-18 4.5153983486344325e-18 4.248555832440192e-18 3.87670666051872e-18 3.353387710866816e-18 2.604049705318656e-18 1.5043669424534016e-18 -1.6576439754120962e-19 -2.832456004379904e-18 -7.401783618070465e-18 -1.6115173104992642e-17 -3.596197577749056e-17 ] } }