{ "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 6.0975 5.688945 5.435739 5.251771 5.107195 4.98808 4.886788 4.798672 4.720696 4.650765 4.587374 4.529402 4.475996 4.426489 4.38035 4.33715 4.296537 4.258219 4.221949 4.18752 4.154754 4.123498 4.093619 4.065 4.036068 4.006253 3.9755 3.943748 3.910929 3.876971 3.84179 3.805295 3.767384 3.727944 3.686845 3.643942 3.599068 3.552035 3.502624 3.450582 3.395611 3.337365 3.275426 3.209294 3.138362 3.061876 2.978893 2.888206 2.788236 2.676864 2.55115 2.406847 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.0975e-10 5.688945000000001e-10 5.435739e-10 5.251770999999999e-10 5.107195e-10 4.98808e-10 4.886788e-10 4.798672e-10 4.720696000000001e-10 4.650765e-10 4.5873739999999996e-10 4.5294020000000005e-10 4.4759960000000006e-10 4.4264890000000003e-10 4.3803500000000003e-10 4.3371500000000004e-10 4.296537e-10 4.2582190000000007e-10 4.221949000000001e-10 4.1875200000000004e-10 4.154754e-10 4.1234979999999997e-10 4.0936190000000006e-10 4.0650000000000004e-10 4.0360680000000003e-10 4.0062530000000004e-10 3.9755e-10 3.943748e-10 3.910929e-10 3.876971e-10 3.84179e-10 3.805295e-10 3.767384e-10 3.727944e-10 3.686845e-10 3.643942e-10 3.599068e-10 3.552035e-10 3.5026240000000003e-10 3.450582e-10 3.395611e-10 3.3373650000000005e-10 3.275426e-10 3.209294e-10 3.138362e-10 3.061876e-10 2.978893e-10 2.888206e-10 2.788236e-10 2.676864e-10 2.55115e-10 2.406847e-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" [ 0.54682 0.936944 1.27913 1.58349 1.85585 2.10056 2.32097 2.51978 2.69916 2.86088 3.00638 3.13691 3.25351 3.35709 3.44844 3.52823 3.59709 3.65552 3.704 3.74293 3.77269 3.79359 3.80594 3.81 3.80557 3.7911 3.76455 3.72342 3.6647 3.58466 3.47872 3.34119 3.16496 2.94111 2.65828 2.302 1.85348 1.28835 0.57443 -0.331151 -1.48641 -2.9708 -4.89527 -7.41739 -10.7659 -15.2809 -21.4829 -30.1947 -42.7714 -61.5556 -90.8549 -139.244 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.761022270038799e-20 1.501149784166496e-19 2.04939219784842e-19 2.53703067817266e-19 2.9733995062088997e-19 3.36546815031504e-19 3.7186039022149796e-19 4.0371326388205195e-19 4.3245310834274398e-19 4.583635088677919e-19 4.816751788924919e-19 5.02588390496094e-19 5.21269770048534e-19 5.37865115623506e-19 5.52500999175096e-19 5.65284766537782e-19 5.76317354839506e-19 5.85678872911968e-19 5.934462252336e-19 5.99683498869762e-19 6.044515765325459e-19 6.07800125697606e-19 6.09778813840596e-19 6.10429297554e-19 6.09719533305138e-19 6.0740118371574e-19 6.0314740475247e-19 5.96557652256828e-19 5.8714967106198e-19 5.74325849283444e-19 5.57352390022848e-19 5.35317654775446e-19 5.07082495954464e-19 4.71217772002374e-19 4.2590341026295195e-19 3.6882106114679996e-19 2.96960234758632e-19 2.0641642664139e-19 9.203383238686199e-20 -5.305623945257339e-20 -2.38149137054394e-19 -4.7597463442872e-19 -7.84308721112118e-19 -1.188396894326526e-18 -1.7248873423980599e-18 -2.44827009264906e-18 -3.4419400410558597e-18 -4.83772428106398e-18 -6.85273376834676e-18 -9.862294401185039e-18 -1.455655978644066e-17 -2.23093483224696e-17 ] } }