{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.14521 4.800462 4.586801 4.431565 4.309568 4.209056 4.123583 4.049229 3.983431 3.924422 3.870931 3.822013 3.776948 3.735173 3.69624 3.659787 3.625516 3.593182 3.562577 3.533525 3.505877 3.479502 3.454289 3.43014 3.4137 3.396397 3.378137 3.358806 3.338271 3.316373 3.292918 3.267667 3.240321 3.210503 3.177719 3.141314 3.100387 3.053655 2.999194 2.933929 2.852487 2.74411 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.14521e-10 4.800461999999999e-10 4.5868010000000004e-10 4.431565e-10 4.309568e-10 4.2090560000000004e-10 4.1235830000000004e-10 4.049229000000001e-10 3.983431e-10 3.924422e-10 3.870931e-10 3.8220130000000004e-10 3.776948e-10 3.7351730000000004e-10 3.69624e-10 3.659787e-10 3.6255160000000005e-10 3.593182e-10 3.562577e-10 3.533525e-10 3.505877e-10 3.4795020000000004e-10 3.4542890000000003e-10 3.43014e-10 3.4137000000000003e-10 3.396397e-10 3.3781370000000004e-10 3.358806e-10 3.3382710000000003e-10 3.316373e-10 3.292918e-10 3.267667e-10 3.240321e-10 3.2105030000000004e-10 3.177719e-10 3.141314e-10 3.100387e-10 3.053655e-10 2.999194e-10 2.933929e-10 2.852487e-10 2.74411e-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" [ 3.04787 3.28548 3.45598 3.57127 3.614 3.66228 3.74161 3.83229 3.89415 3.90448 3.87453 3.82957 3.78543 3.75185 3.73667 3.74266 3.76738 3.80532 3.84988 3.89471 3.93448 3.9652 3.9843 3.99065 3.98764 3.978 3.96107 3.93634 3.90319 3.86072 3.80742 3.7407 3.6559 3.5446 3.39199 3.1779 2.87357 2.42327 1.72769 0.631608 -1.16403 -4.54572 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.88322609746958e-19 5.26391928747432e-19 5.537090403571319e-19 5.72180534770518e-19 5.790266355276e-19 5.867619443165519e-19 5.994720115540739e-19 6.14000549271186e-19 6.239116139291099e-19 6.255666623920319e-19 6.20768143373202e-19 6.135647572267379e-19 6.064927495642619e-19 6.011126404272899e-19 5.98680536296878e-19 5.99640240100644e-19 6.03600820739892e-19 6.096794788892879e-19 6.16818777970392e-19 6.24001335820614e-19 6.30373192294032e-19 6.352950789136799e-19 6.3835523628462e-19 6.3937261844721e-19 6.38890363280376e-19 6.373458650051999e-19 6.34633379963838e-19 6.306711971479559e-19 6.25359981606246e-19 6.18555537441648e-19 6.100159359824279e-19 5.9932621348038e-19 5.857397556240599e-19 5.6790752968764e-19 5.434567120761659e-19 5.0915571251886e-19 4.603966710163379e-19 3.88250657187318e-19 2.7680645487954596e-19 1.0119475794474719e-19 -1.8649816672750197e-19 -7.28304636870648e-19 ] } }