{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.23844 8.61943 8.235793 7.95706 7.73801 7.557537 7.404067 7.270561 7.152418 7.046464 6.950418 6.862584 6.781668 6.706659 6.636754 6.5713 6.509767 6.451709 6.396756 6.344592 6.294948 6.247592 6.202321 6.15896 6.115124 6.069951 6.023357 5.975248 5.925525 5.874073 5.82077 5.765476 5.708037 5.64828 5.58601 5.521006 5.453018 5.381757 5.306894 5.228043 5.144757 5.056506 4.96266 4.862464 4.754992 4.639107 4.513378 4.375976 4.22451 4.055768 3.865296 3.64666 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.238440000000001e-10 8.619429999999999e-10 8.235792999999999e-10 7.95706e-10 7.738010000000001e-10 7.557537e-10 7.404067000000001e-10 7.270561e-10 7.152418000000001e-10 7.046464e-10 6.950418000000001e-10 6.862584000000001e-10 6.781668e-10 6.706659000000001e-10 6.636754e-10 6.5713e-10 6.509767e-10 6.451709e-10 6.396756000000001e-10 6.344592e-10 6.294948e-10 6.247592000000001e-10 6.202321000000001e-10 6.158960000000001e-10 6.115124e-10 6.069951e-10 6.023357e-10 5.975248e-10 5.925525000000001e-10 5.874073e-10 5.820770000000001e-10 5.765476e-10 5.708037e-10 5.64828e-10 5.58601e-10 5.521006e-10 5.453018e-10 5.381757000000001e-10 5.306894e-10 5.228043e-10 5.144757e-10 5.056506e-10 4.96266e-10 4.862464e-10 4.754992e-10 4.639107e-10 4.5133780000000004e-10 4.375976e-10 4.2245100000000003e-10 4.0557679999999997e-10 3.865296e-10 3.64666e-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" [ 1.56978 2.33684 2.93468 3.41088 3.79557 4.09219 4.30591 4.46707 4.58895 4.68835 4.78664 4.8963 5.0144 5.13049 5.23708 5.33035 5.40818 5.4674 5.5138 5.55054 5.57909 5.60064 5.61601 5.62245 5.61341 5.58078 5.51934 5.43539 5.33938 5.24221 5.14656 5.05128 4.95413 4.85049 4.73598 4.60785 4.46318 4.29488 4.08794 3.83067 3.50398 3.08277 2.53974 1.83604 0.94536 -0.255279 -1.9336 -4.21399 -7.6627 -13.0241 -21.5541 -36.2764 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.51506483652052e-19 3.74403044539656e-19 4.70187572426712e-19 5.46483223737792e-19 6.08117356671138e-19 6.55641119988846e-19 6.89882839010694e-19 7.157035176442379e-19 7.352308464594299e-19 7.511564822013899e-19 7.66904276336976e-19 7.8447374530542e-19 8.0339545135296e-19 8.219951198970659e-19 8.390727206388719e-19 8.540162221041899e-19 8.664859628466119e-19 8.759740528731599e-19 8.8340815245492e-19 8.892945494082358e-19 8.93868763698306e-19 8.97321454344576e-19 8.99783999831034e-19 9.008158015833298e-19 8.99367433906194e-19 8.94139531549452e-19 8.84295758310156e-19 8.708454854677259e-19 8.55462987604692e-19 8.39894637252114e-19 8.245698177479039e-19 8.093042787791519e-19 7.93739132779842e-19 7.771341741450659e-19 7.587876495091319e-19 7.382589602976899e-19 7.15080270933612e-19 6.881156381833919e-19 6.549601949193959e-19 6.137409966564779e-19 5.613994882003319e-19 4.93914206199618e-19 4.06911208443516e-19 2.9416603870893597e-19 1.51463370271824e-19 -4.0900204895088593e-20 -3.0979687395023998e-19 -6.751556313909659e-19 -1.2276998893351799e-18 -2.08669086988794e-18 -3.4533475386899395e-18 -5.81212004456376e-18 ] } }