{ "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.0614 5.655263 5.403556 5.220677 5.076956 4.958547 4.857854 4.77026 4.692745 4.623228 4.560212 4.502583 4.449494 4.40028 4.354414 4.31147 4.271097 4.233005 4.19695 4.162725 4.130153 4.099082 4.069379 4.04093 4.012169 3.982531 3.95196 3.920396 3.887772 3.854015 3.819042 3.782763 3.745077 3.705871 3.665015 3.622366 3.577758 3.531004 3.481886 3.430151 3.375507 3.317605 3.256033 3.190293 3.119781 3.043748 2.961257 2.871107 2.771729 2.661017 2.536047 2.392599 2.224242 2.02047 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.0614e-10 5.655263e-10 5.403556e-10 5.220677e-10 5.076956000000001e-10 4.958547e-10 4.857854e-10 4.77026e-10 4.692745000000001e-10 4.6232280000000003e-10 4.560212e-10 4.502583e-10 4.4494939999999996e-10 4.4002800000000006e-10 4.3544140000000003e-10 4.3114700000000003e-10 4.2710970000000005e-10 4.2330050000000003e-10 4.19695e-10 4.162725e-10 4.130153e-10 4.0990820000000003e-10 4.069379e-10 4.040930000000001e-10 4.0121690000000003e-10 3.982531e-10 3.95196e-10 3.9203960000000005e-10 3.887772e-10 3.854015e-10 3.8190420000000004e-10 3.782763e-10 3.745077e-10 3.705871e-10 3.665015e-10 3.6223660000000004e-10 3.5777580000000004e-10 3.5310039999999997e-10 3.481886e-10 3.430151e-10 3.375507e-10 3.317605e-10 3.256033e-10 3.190293e-10 3.119781e-10 3.043748e-10 2.961257e-10 2.871107e-10 2.7717290000000003e-10 2.661017e-10 2.536047e-10 2.3925990000000003e-10 2.224242e-10 2.0204700000000002e-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" [ 1.85322 2.25513 2.50868 2.70528 2.86903 3.00736 3.12489 3.22545 3.31257 3.39015 3.46157 3.5292 3.59394 3.65449 3.709 3.75626 3.79589 3.82817 3.85376 3.87342 3.88787 3.89768 3.90333 3.90515 3.9032 3.89688 3.88536 3.86755 3.8421 3.80764 3.76297 3.70696 3.63832 3.55531 3.4552 3.33354 3.18283 2.99026 2.73348 2.37279 1.83764 1.02601 -0.252919 -2.36024 -5.99501 -12.5765 -25.1057 -50.2605 -104.02 -228.167 -544.453 -1463.13 -4679.82 -19668.7 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.96918578166148e-19 3.6131165926324195e-19 4.0193484781831197e-19 4.33433640442752e-19 4.596692828245019e-19 4.818321922026239e-19 5.00662574182026e-19 5.1677406241352995e-19 5.307322252489379e-19 5.4316191157551e-19 5.5460465709553795e-19 5.654401776712799e-19 5.75812669199796e-19 5.855138487186659e-19 5.942473135506e-19 6.01819200322884e-19 6.081686263234259e-19 6.133404524979779e-19 6.17440422504384e-19 6.20590301766828e-19 6.229054470029579e-19 6.244771822809119e-19 6.25382412079122e-19 6.256740082265099e-19 6.2536158378288e-19 6.243490081501919e-19 6.225033006678239e-19 6.1964982408267e-19 6.1557228454914e-19 6.10051183868376e-19 6.02894260844298e-19 5.93920469517264e-19 5.82923129101488e-19 5.69623460862654e-19 5.5358407057967995e-19 5.34091989650436e-19 5.099455855994219e-19 4.79092470158484e-19 4.37951778550632e-19 3.80162869538886e-19 2.9442238697037597e-19 1.64384924825034e-19 -4.05220912094646e-20 -3.78152137863216e-19 -9.60506494259634e-19 -2.0149774437500997e-18 -4.02237659202138e-18 -8.052619871315699e-18 -1.6665841346867998e-17 -3.65563836049878e-17 -8.72309874911202e-17 -2.34419269850442e-16 -7.497898255325879e-16 -3.1512731561155797e-15 ] } }