{ "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" [ "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" [ 8.63331 8.054846 7.696338 7.435862 7.23116 7.062508 6.919091 6.79433 6.683925 6.584912 6.495157 6.413076 6.33746 6.267364 6.202037 6.140872 6.083368 6.029114 5.97776 5.929013 5.882621 5.838366 5.796061 5.75554 5.714575 5.672361 5.628819 5.583862 5.537395 5.489314 5.439502 5.387829 5.334153 5.27831 5.220119 5.159373 5.095838 5.029245 4.959285 4.885599 4.807768 4.725298 4.6376 4.543966 4.443534 4.33524 4.217746 4.089344 3.947799 3.79011 3.612114 3.407799 3.168005 2.87777 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.63331e-10 8.054846e-10 7.696338e-10 7.435862e-10 7.23116e-10 7.062508000000001e-10 6.919091e-10 6.79433e-10 6.683925000000001e-10 6.584912e-10 6.495157e-10 6.413076000000001e-10 6.337460000000001e-10 6.267364e-10 6.202037e-10 6.140872e-10 6.083368e-10 6.029114e-10 5.97776e-10 5.929013000000001e-10 5.882621e-10 5.838366e-10 5.796061e-10 5.75554e-10 5.714575e-10 5.672361000000001e-10 5.628819e-10 5.583862e-10 5.537395e-10 5.489314e-10 5.439502e-10 5.387829e-10 5.334153e-10 5.27831e-10 5.220119e-10 5.159373e-10 5.095838e-10 5.029245e-10 4.959285000000001e-10 4.885599e-10 4.807768000000001e-10 4.725298000000001e-10 4.6376e-10 4.5439660000000006e-10 4.4435339999999997e-10 4.33524e-10 4.217746e-10 4.0893439999999996e-10 3.9477989999999997e-10 3.7901100000000003e-10 3.612114e-10 3.407799e-10 3.168005e-10 2.87777e-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" [ 1.20723 1.67673 2.03813 2.34095 2.60363 2.83623 3.04503 3.23427 3.40698 3.56542 3.71134 3.84613 3.9709 4.08658 4.19395 4.29366 4.38628 4.4723 4.55214 4.62619 4.69477 4.75818 4.8167 4.86543 4.73439 4.39799 3.98032 3.58336 3.25478 3.00302 2.8179 2.68323 2.58275 2.50308 2.42949 2.33511 2.21256 2.05459 1.85173 1.56708 0.965689 0.109479 -0.835761 -1.81516 -2.87809 -4.24559 -6.0959 -8.65669 -12.6167 -18.6474 -27.7995 -42.7704 -69.4906 -122.113 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.93419569786382e-19 2.68641762752682e-19 3.26544426305442e-19 3.7506153913622994e-19 4.1714751495814196e-19 4.54414143464982e-19 4.87867591582902e-19 5.18187182204718e-19 5.45858374850532e-19 5.71243261439628e-19 5.946222228829559e-19 6.16217961732642e-19 6.3620831959506e-19 6.547422988971719e-19 6.7194486941643e-19 6.879201726340439e-19 7.02759532618152e-19 7.165414560238199e-19 7.293332342696759e-19 7.41197352244446e-19 7.52185079600418e-19 7.62344481636612e-19 7.717204192987799e-19 7.795278260362619e-19 7.58532903424326e-19 7.04635681456566e-19 6.37717569984288e-19 5.741175663210239e-19 5.21473246481052e-19 4.81136847543468e-19 4.514773536948599e-19 4.29900840964782e-19 4.1380217014634993e-19 4.01037628903272e-19 3.8924721105366595e-19 3.7412586798197395e-19 3.5449119333230394e-19 3.29181609045006e-19 2.96679853847682e-19 2.51073895960872e-19 1.5472043515108259e-19 1.75404695713686e-20 -1.339036745808474e-19 -2.90820693897144e-19 -4.61120854854906e-19 -6.802185095544059e-19 -9.7667085432006e-19 -1.3869546445781458e-18 -2.02141819381878e-18 -2.98764285648516e-18 -4.4539709336883e-18 -6.85257355068336e-18 -1.113362156026404e-17 -1.9564659530764197e-17 ] } }