{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.29275 8.670102 8.28421 8.003838 7.783501 7.601967 7.447595 7.313304 7.194467 7.087891 6.99128 6.90293 6.821538 6.746089 6.675772 6.609934 6.548039 6.48964 6.434364 6.381893 6.331957 6.284322 6.238786 6.19517 6.151077 6.105638 6.05877 6.010379 5.960363 5.908609 5.854992 5.799373 5.741596 5.681488 5.618852 5.553467 5.485079 5.413399 5.338095 5.258781 5.175005 5.086236 4.991839 4.891053 4.78295 4.666384 4.539916 4.401707 4.24935 4.079616 3.888025 3.668103 3.409994 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.29275e-10 8.670102e-10 8.28421e-10 8.003838000000001e-10 7.783501e-10 7.601967e-10 7.447595e-10 7.313304e-10 7.194467e-10 7.087891e-10 6.99128e-10 6.90293e-10 6.821538e-10 6.746089e-10 6.675772e-10 6.609934000000001e-10 6.548039000000001e-10 6.48964e-10 6.434364000000001e-10 6.381893e-10 6.331957e-10 6.284322e-10 6.238786e-10 6.19517e-10 6.151077e-10 6.105638e-10 6.058770000000001e-10 6.010379000000001e-10 5.960363e-10 5.908609e-10 5.854992e-10 5.799373e-10 5.741596000000001e-10 5.681488e-10 5.618852e-10 5.553467e-10 5.485079e-10 5.413399e-10 5.338095e-10 5.258781e-10 5.175005e-10 5.086236000000001e-10 4.991839e-10 4.891053e-10 4.78295e-10 4.666384e-10 4.539916e-10 4.401707e-10 4.24935e-10 4.079616e-10 3.888025e-10 3.668103e-10 3.4099940000000003e-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" [ 1.56077 2.36327 3.03698 3.57766 4.0023 4.33357 4.58669 4.77725 4.92217 5.03572 5.12705 5.20212 5.26496 5.31828 5.36396 5.40332 5.43734 5.46679 5.49218 5.51338 5.53 5.54193 5.54922 5.5518 5.5486 5.53736 5.51515 5.47833 5.42325 5.35055 5.26364 5.1672 5.06661 4.96454 4.86084 4.75533 4.64801 4.53872 4.42539 4.30226 4.15729 3.96836 3.69987 3.30152 2.70523 1.79953 0.12495 -2.77489 -7.34403 -14.5899 -26.6064 -48.3463 -91.8771 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.50062922504818e-19 3.7863759738331797e-19 4.865778393925319e-19 5.732043256396439e-19 6.4123915422582e-19 6.943144595803379e-19 7.348687545401459e-19 7.6539983247765e-19 7.88618576257578e-19 8.06811291936648e-19 8.214439711349699e-19 8.334715111264079e-19 8.435395890944639e-19 8.5208239490695185e-19 8.594011377710639e-19 8.657073050024879e-19 8.71157909911356e-19 8.758763200984858e-19 8.79944246572212e-19 8.833408610362919e-19 8.86003678602e-19 8.87915075326362e-19 8.89083062092548e-19 8.8949642366412e-19 8.8898372714124e-19 8.87182880604624e-19 8.836244463005099e-19 8.777252319341219e-19 8.6890044303405e-19 8.572526189048699e-19 8.433281017787759e-19 8.278767103204799e-19 8.117604155590739e-19 7.95406998655836e-19 7.787924269612559e-19 7.618878612959219e-19 7.446933016598339e-19 7.271831132268479e-19 7.09025645433726e-19 6.89298044539284e-19 6.660712898761859e-19 6.35801366730024e-19 5.92784526283758e-19 5.289618200683679e-19 4.3342562955958194e-19 2.88316491818202e-19 2.001919704183e-20 -4.44586391992026e-19 -1.1766433265395019e-18 -2.33755968723966e-18 -4.26281523948576e-18 -7.74593122003542e-18 -1.472033428196814e-17 ] } }