{ "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" [ 9.31605 8.69184 8.30498 8.023905 7.803015 7.621026 7.466267 7.331639 7.212504 7.10566 7.008807 6.920235 6.83864 6.763001 6.692507 6.626504 6.564454 6.505908 6.450494 6.397892 6.347831 6.300076 6.254425 6.2107 6.166496 6.120943 6.073957 6.025445 5.975304 5.92342 5.869669 5.81391 5.755989 5.69573 5.632937 5.567387 5.498827 5.426968 5.351476 5.271962 5.187976 5.098984 5.004351 4.903312 4.794938 4.67808 4.551294 4.412738 4.259999 4.08984 3.897768 3.677294 3.418538 3.10535 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.316050000000001e-10 8.691839999999999e-10 8.304980000000001e-10 8.023904999999999e-10 7.803015e-10 7.621026e-10 7.466267e-10 7.331639e-10 7.212504e-10 7.10566e-10 7.008807e-10 6.920235e-10 6.83864e-10 6.763001000000001e-10 6.692507000000001e-10 6.626504e-10 6.564454e-10 6.505908e-10 6.450494e-10 6.397892e-10 6.347831e-10 6.300076e-10 6.254425e-10 6.2107e-10 6.166496000000001e-10 6.120943e-10 6.073957000000001e-10 6.025445000000001e-10 5.975304e-10 5.923420000000001e-10 5.869669e-10 5.81391e-10 5.755989e-10 5.695730000000001e-10 5.632937000000001e-10 5.567387e-10 5.498827000000001e-10 5.426968e-10 5.351476e-10 5.271962e-10 5.187976e-10 5.098984e-10 5.004351e-10 4.903312e-10 4.794938e-10 4.678079999999999e-10 4.551294000000001e-10 4.4127380000000004e-10 4.259999e-10 4.08984e-10 3.8977680000000004e-10 3.677294e-10 3.418538e-10 3.10535e-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" [ 0.939374 1.33898 1.65273 1.91426 2.13853 2.33406 2.50622 2.65866 2.7941 2.9146 3.02191 3.11722 3.20158 3.27595 3.34114 3.39768 3.44611 3.48692 3.52055 3.54735 3.5677 3.58199 3.59039 3.59314 3.59016 3.58051 3.56295 3.53591 3.49754 3.44562 3.37742 3.28963 3.1782 3.038 2.86269 2.64445 2.373 2.03528 1.6145 1.08879 0.428578 -0.405881 -1.46939 -2.83835 -4.62203 -6.98071 -10.1563 -14.5278 -20.7125 -29.7705 -43.6393 -66.1608 -105.836 -184.564 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5050430733871159e-19 2.14528246939332e-19 2.64796538831082e-19 3.06698264340084e-19 3.4263027971080195e-19 3.7395763943540396e-19 4.0154071236634795e-19 4.259642929750439e-19 4.476641733059399e-19 4.6697040174564e-19 4.84163359205094e-19 4.99433704703748e-19 5.12949666788172e-19 5.2486505441523e-19 5.35309643892276e-19 5.443683505809119e-19 5.52127692019374e-19 5.586661748627279e-19 5.6405429488287e-19 5.683481282619899e-19 5.716085577121799e-19 5.738980681221659e-19 5.75243896494726e-19 5.756844950690759e-19 5.75207046432144e-19 5.73660945980334e-19 5.708475238110299e-19 5.66515238192694e-19 5.60367686448036e-19 5.52049185364308e-19 5.411223407204279e-19 5.270568320505419e-19 5.0920377781788e-19 4.867412614091999e-19 4.58653502838546e-19 4.2368759997813e-19 3.801965152482e-19 3.26087805964752e-19 2.586714175593e-19 1.7444338973328598e-19 6.86657657446452e-20 -6.50293054384554e-20 -2.3542223242332597e-19 -4.5475380491139e-19 -7.405308467647019e-19 -1.118433045073014e-18 -1.6272186547894199e-18 -2.3276101703425197e-18 -3.3185083531724996e-18 -4.769759948249699e-18 -6.99178667841162e-18 -1.0600128784674719e-17 -1.6956796623602398e-17 -2.95704128277576e-17 ] } }