{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.13818 7.592891 7.254943 7.009406 6.816443 6.657464 6.522271 6.404665 6.300592 6.207257 6.12265 6.045276 5.973997 5.907921 5.846341 5.788683 5.734477 5.683334 5.634926 5.588974 5.545243 5.503526 5.463647 5.42545 5.386835 5.347042 5.305996 5.263617 5.219816 5.174492 5.127536 5.078828 5.028229 4.975589 4.920735 4.863473 4.803582 4.740808 4.67486 4.6054 4.532033 4.454292 4.371623 4.28336 4.188688 4.086604 3.975849 3.85481 3.721383 3.572737 3.40495 3.212352 2.98631 2.71272 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.138180000000001e-10 7.592891e-10 7.254943e-10 7.009406e-10 6.816443e-10 6.657464e-10 6.522271e-10 6.404665e-10 6.300592e-10 6.207257000000001e-10 6.122650000000001e-10 6.045276e-10 5.973997e-10 5.907921e-10 5.846341e-10 5.788683e-10 5.734477e-10 5.683334000000001e-10 5.634926e-10 5.588974e-10 5.545243e-10 5.503526e-10 5.463647e-10 5.42545e-10 5.386835e-10 5.347042e-10 5.305996000000001e-10 5.263617000000001e-10 5.219816e-10 5.174492e-10 5.127536e-10 5.078828e-10 5.028229e-10 4.975589e-10 4.920735e-10 4.863473e-10 4.803581999999999e-10 4.740808e-10 4.67486e-10 4.6054000000000005e-10 4.532033e-10 4.454292e-10 4.371623e-10 4.28336e-10 4.188688e-10 4.0866040000000004e-10 3.9758490000000005e-10 3.85481e-10 3.721383e-10 3.5727370000000004e-10 3.40495e-10 3.2123520000000004e-10 2.98631e-10 2.71272e-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" [ 0 0 0 0 0 0.0829939 1.01532 2.05896 2.75219 3.18297 3.48337 3.72248 3.92619 4.1002 4.24253 4.35365 4.4397 4.50575 4.55567 4.5924 4.61827 4.63511 4.64436 4.64722 4.64437 4.6356 4.62058 4.5989 4.57012 4.53372 4.48912 4.43562 4.37244 4.29866 4.21319 4.11477 4.0019 3.87279 3.72527 3.55674 3.36398 3.14299 2.88879 2.59497 2.25323 1.91788 -2.1309 -12.7481 -21.1348 -25.8734 -35.1784 -51.8399 -65.6655 -85.6642 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 1.3297088734453258e-20 1.6267219800328798e-19 3.2988176023406396e-19 4.40949451032846e-19 5.09968016072298e-19 5.580974021576579e-19 5.9640704765323195e-19 6.29044987864446e-19 6.5692446347268e-19 6.79728243504402e-19 6.9753163026141e-19 7.1131836019698e-19 7.2190073686455e-19 7.29898802621478e-19 7.357835973981599e-19 7.399284283503179e-19 7.42626493801974e-19 7.441085071884239e-19 7.445667297057479e-19 7.44110109365058e-19 7.4270500045704e-19 7.40298531152772e-19 7.3682501221026e-19 7.32213947857608e-19 7.263820249098479e-19 7.192363171222079e-19 7.10664672130308e-19 7.005421201566959e-19 6.887212609510439e-19 6.750274572602459e-19 6.59258834828418e-19 6.4117506716046e-19 6.20489364638886e-19 5.968540549341179e-19 5.698525721213159e-19 5.38969015324332e-19 5.03562513889566e-19 4.62835183853286e-19 4.1576002999309796e-19 3.6100724570278198e-19 3.07278252281592e-19 -3.4140781893905996e-19 -2.04247079478954e-18 -3.3861682724263197e-18 -4.14537569221356e-18 -5.6362010501505605e-18 -8.30566764888966e-18 -1.0520772975992699e-17 -1.3724917961030278e-17 ] } }