{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.41102 5.048462 4.823764 4.660508 4.532209 4.426505 4.336617 4.258421 4.189224 4.127167 4.070912 4.019467 3.972074 3.928141 3.887197 3.84886 3.81282 3.778815 3.746629 3.716076 3.686999 3.659262 3.632747 3.60735 3.581675 3.555217 3.527926 3.499748 3.470625 3.440489 3.409269 3.376883 3.34324 3.30824 3.271768 3.233695 3.193873 3.152135 3.108287 3.062103 3.013322 2.961632 2.906666 2.84798 2.785033 2.717158 2.643518 2.56304 2.474325 2.375491 2.26393 2.135872 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.41102e-10 5.048462e-10 4.823764e-10 4.660508e-10 4.532209e-10 4.4265049999999997e-10 4.3366170000000006e-10 4.2584210000000005e-10 4.1892240000000003e-10 4.1271670000000003e-10 4.070912e-10 4.019467e-10 3.972074e-10 3.9281410000000003e-10 3.8871970000000004e-10 3.84886e-10 3.81282e-10 3.778815e-10 3.746629e-10 3.7160760000000003e-10 3.6869990000000005e-10 3.6592620000000003e-10 3.6327470000000003e-10 3.60735e-10 3.5816750000000005e-10 3.555217e-10 3.527926e-10 3.499748e-10 3.470625e-10 3.4404890000000003e-10 3.409269e-10 3.376883e-10 3.34324e-10 3.3082400000000004e-10 3.271768e-10 3.233695e-10 3.193873e-10 3.152135e-10 3.108287e-10 3.062103e-10 3.013322e-10 2.961632e-10 2.906666e-10 2.84798e-10 2.785033e-10 2.717158e-10 2.643518e-10 2.56304e-10 2.474325e-10 2.375491e-10 2.2639300000000003e-10 2.135872e-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" [ 1.08678 1.49205 1.79912 2.04872 2.25858 2.43863 2.59492 2.73175 2.85205 2.95809 3.05166 3.13408 3.20654 3.27008 3.32532 3.37294 3.4135 3.4475 3.47536 3.49747 3.51422 3.52589 3.53271 3.53494 3.53255 3.52482 3.51076 3.48923 3.45888 3.41808 3.36477 3.29653 3.21043 3.10275 2.96907 2.80373 2.59954 2.34749 2.036 1.64997 1.16961 0.568452 -0.189353 -1.15323 -2.39275 -4.00838 -6.14915 -9.04426 -13.0581 -18.8008 -27.3568 -40.8081 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.74121352229852e-19 2.3905276467597e-19 2.88250802576208e-19 3.2824113136084795e-19 3.6186441020197196e-19 3.9071160049714195e-19 4.15752019109928e-19 4.376746019929499e-19 4.5694878689997e-19 4.739382679269059e-19 4.889298346912439e-19 5.021349745086719e-19 5.13744346398636e-19 5.23924576731072e-19 5.327750004572879e-19 5.4040456558839595e-19 5.469029940159e-19 5.523503945714999e-19 5.568140586738239e-19 5.603564712115979e-19 5.630401170735479e-19 5.64909857205426e-19 5.660025416698139e-19 5.66359827059196e-19 5.6597690684367e-19 5.64738424305588e-19 5.624857639581839e-19 5.59036277665182e-19 5.54173671580992e-19 5.47636790914272e-19 5.3909558727841795e-19 5.28162333928002e-19 5.14367593109262e-19 4.9711535511434995e-19 4.75697457871038e-19 4.49207069404482e-19 4.16492224714836e-19 3.76109362654866e-19 3.262031626824e-19 2.64354338080098e-19 1.87392181289274e-19 9.107605119505679e-20 -3.03376952177802e-20 -1.84767815962782e-19 -3.8336081410035e-19 -6.422132776192919e-19 -9.852024448961099e-19 -1.4490502043820839e-18 -2.09213827044354e-18 -3.0122202460507194e-18 -4.38304257410112e-18 -6.5381784297935404e-18 ] } }