{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.29673 4.008834 3.830407 3.700771 3.598893 3.514956 3.443579 3.381486 3.326539 3.277261 3.232591 3.19174 3.154106 3.11922 3.086708 3.056266 3.027647 3.000645 2.975087 2.950826 2.927737 2.905712 2.884657 2.86449 2.844102 2.823092 2.801422 2.779047 2.75592 2.731991 2.707199 2.681483 2.654768 2.626975 2.598014 2.567781 2.53616 2.503017 2.468198 2.431525 2.392789 2.351744 2.308097 2.261496 2.211512 2.157615 2.099139 2.035234 1.964787 1.886306 1.797719 1.696032 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2967300000000005e-10 4.008834e-10 3.830407e-10 3.7007710000000004e-10 3.598893e-10 3.514956e-10 3.4435790000000004e-10 3.3814860000000004e-10 3.326539e-10 3.277261e-10 3.2325910000000005e-10 3.19174e-10 3.1541060000000004e-10 3.11922e-10 3.086708e-10 3.056266e-10 3.027647e-10 3.0006450000000003e-10 2.975087e-10 2.9508260000000003e-10 2.927737e-10 2.905712e-10 2.884657e-10 2.86449e-10 2.844102e-10 2.823092e-10 2.801422e-10 2.779047e-10 2.7559200000000004e-10 2.7319909999999997e-10 2.7071990000000004e-10 2.6814830000000003e-10 2.654768e-10 2.626975e-10 2.598014e-10 2.5677810000000003e-10 2.53616e-10 2.503017e-10 2.468198e-10 2.431525e-10 2.3927890000000004e-10 2.3517440000000003e-10 2.308097e-10 2.2614960000000002e-10 2.211512e-10 2.157615e-10 2.099139e-10 2.035234e-10 1.964787e-10 1.886306e-10 1.797719e-10 1.696032e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.08121 1.48354 1.78859 2.03656 2.24501 2.42378 2.57896 2.71489 2.83456 2.94006 3.03312 3.11516 3.18729 3.25041 3.30531 3.35267 3.39307 3.42695 3.45473 3.4768 3.49348 3.50509 3.51188 3.51409 3.5117 3.50407 3.49019 3.4689 3.4388 3.39825 3.34529 3.27754 3.19196 3.08504 2.95224 2.78785 2.58478 2.33404 2.02404 1.63994 1.16182 0.563416 -0.190884 -1.15051 -2.38486 -3.99389 -6.12667 -9.01146 -13.0117 -18.7361 -27.267 -40.6819 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.73228939844714e-19 2.37689312360436e-19 2.86563710580606e-19 3.26292884573904e-19 3.59690256509634e-19 3.8833236819565193e-19 4.1319494520206397e-19 4.34973332188026e-19 4.54146579967104e-19 4.710495434558039e-19 4.859593992118079e-19 4.99103656317144e-19 5.10660156378186e-19 5.207730952919939e-19 5.29569045012654e-19 5.371569535512779e-19 5.436297471526379e-19 5.4905792158862995e-19 5.53508768277882e-19 5.5704477210912e-19 5.597172027346319e-19 5.615773298067059e-19 5.62665207741192e-19 5.630192887773059e-19 5.6263636856178e-19 5.61413907790038e-19 5.59190086622046e-19 5.5577905256826e-19 5.5095650089992e-19 5.4445967464905e-19 5.359745471953859e-19 5.251198005000359e-19 5.114083728662639e-19 4.942779002955359e-19 4.73000994596016e-19 4.4666281290969e-19 4.1412741200305197e-19 3.7395443508213597e-19 3.2428695942813597e-19 2.6274735491619597e-19 1.86144085691388e-19 9.02691950421744e-20 -3.05829884604456e-20 -1.8433202391833398e-19 -3.8209669673612402e-19 -6.39891723676626e-19 -9.81600751822878e-19 -1.4437950650225638e-18 -2.08470417086178e-18 -3.00185416322874e-18 -4.368655027927799e-18 -6.517958960672459e-18 ] } }