{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 6.35373 5.928007 5.66416 5.472462 5.32181 5.19769 5.092141 5.000323 4.91907 4.8462 4.780145 4.719737 4.664087 4.6125 4.564422 4.519407 4.477087 4.437158 4.399364 4.363488 4.329346 4.296776 4.265641 4.23582 4.205672 4.174604 4.142559 4.109472 4.075275 4.039889 4.00323 3.965201 3.925698 3.8846 3.841774 3.797068 3.750309 3.701299 3.649812 3.595582 3.538302 3.477608 3.413066 3.344156 3.270242 3.190543 3.104073 3.009574 2.905403 2.789351 2.658355 2.507987 2.33151 2.11791 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.35373e-10 5.928007e-10 5.66416e-10 5.472462000000001e-10 5.32181e-10 5.197689999999999e-10 5.092141e-10 5.000323e-10 4.91907e-10 4.8462e-10 4.780145000000001e-10 4.719737e-10 4.664087e-10 4.6125e-10 4.5644220000000006e-10 4.519407e-10 4.477087e-10 4.4371580000000005e-10 4.399364e-10 4.3634880000000003e-10 4.3293460000000004e-10 4.2967760000000007e-10 4.265641e-10 4.2358200000000007e-10 4.205672e-10 4.1746040000000005e-10 4.1425590000000006e-10 4.1094720000000005e-10 4.0752750000000007e-10 4.039889e-10 4.0032300000000005e-10 3.965201e-10 3.925698e-10 3.8846e-10 3.841774e-10 3.797068e-10 3.750309e-10 3.701299e-10 3.649812e-10 3.595582e-10 3.538302e-10 3.477608e-10 3.4130660000000004e-10 3.344156e-10 3.270242e-10 3.1905430000000003e-10 3.1040730000000004e-10 3.009574e-10 2.905403e-10 2.789351e-10 2.658355e-10 2.507987e-10 2.33151e-10 2.1179100000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.10707 1.55396 1.89548 2.1752 2.41233 2.61743 2.79704 2.95557 3.09617 3.22117 3.33235 3.43113 3.51866 3.59586 3.66351 3.72228 3.77272 3.81532 3.8505 3.87863 3.90004 3.91503 3.92385 3.92675 3.9236 3.91338 3.89468 3.86583 3.82481 3.76913 3.69578 3.601 3.48017 3.32751 3.13572 2.89556 2.5952 2.2193 1.74787 1.15435 0.403204 -0.554033 -1.78449 -3.38288 -5.48631 -8.3022 -12.1526 -17.5517 -25.3537 -37.0492 -55.3951 -85.8776 -140.478 -248.818 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7737216862023798e-19 2.48971840217064e-19 3.03689376621432e-19 3.485054614276799e-19 3.8649787594972194e-19 4.19358518713062e-19 4.48135213236336e-19 4.735345194151379e-19 4.960611228891779e-19 5.160883308141779e-19 5.3390133063099e-19 5.497276314216419e-19 5.63751483499044e-19 5.76120287113524e-19 5.869590120425339e-19 5.96375004120552e-19 6.04456383062448e-19 6.112816555232879e-19 6.169181129216999e-19 6.214250357931419e-19 6.24855295966536e-19 6.272569587409019e-19 6.286700785320899e-19 6.2913470975594995e-19 6.286300241162399e-19 6.26992599596292e-19 6.23996529290712e-19 6.193742497016219e-19 6.12802121148954e-19 6.03881201650842e-19 5.921292360404519e-19 5.769438059034e-19 5.57584705634778e-19 5.33125877140134e-19 5.023977314766479e-19 4.63919857434504e-19 4.1579688005568e-19 3.5557106038361998e-19 2.80039647326958e-19 1.8494725974578999e-19 6.46004027535336e-20 -8.876587270649219e-20 -2.8590681816066595e-19 -5.41997129162592e-19 -8.79003768888054e-19 -1.3301590850794797e-18 -1.94706117623484e-18 -2.81209236269778e-18 -4.06211057254458e-18 -5.935936254839279e-18 -8.875273485809339e-18 -1.3759108410399839e-17 -2.25070569191052e-17 -3.98650385718612e-17 ] } }