{ "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" [ "F" "F" "F" "F" "F" "F" "F" "F" ] } "a" { "source-value" [ 13.7466 12.825525 12.25468 11.83993 11.513987 11.245447 11.017086 10.818432 10.642637 10.48498 10.342066 10.21137 10.090969 9.979357 9.875338 9.777945 9.686384 9.599995 9.518226 9.440607 9.366738 9.296272 9.22891 9.16439 9.099163 9.031947 8.962615 8.891031 8.817043 8.740485 8.66117 8.578894 8.493426 8.404509 8.311853 8.215129 8.113963 8.007929 7.896533 7.779205 7.655277 7.523962 7.384322 7.235231 7.075316 6.902882 6.7158 6.511349 6.28597 6.034885 5.751468 5.426141 5.044324 4.58219 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.37466e-09 1.2825525e-09 1.225468e-09 1.183993e-09 1.1513987e-09 1.1245447000000002e-09 1.1017086e-09 1.0818432e-09 1.0642637000000001e-09 1.048498e-09 1.0342066e-09 1.0211370000000001e-09 1.0090969e-09 9.979357e-10 9.875338e-10 9.777945000000002e-10 9.686384e-10 9.599995e-10 9.518226000000001e-10 9.440607e-10 9.366738e-10 9.296272000000001e-10 9.228910000000001e-10 9.16439e-10 9.099163000000002e-10 9.031947000000001e-10 8.962615e-10 8.891031e-10 8.817043e-10 8.740485e-10 8.661170000000001e-10 8.578894e-10 8.493426e-10 8.404508999999999e-10 8.311853e-10 8.215129e-10 8.113963000000001e-10 8.007929000000001e-10 7.896533e-10 7.779205e-10 7.655277e-10 7.523962e-10 7.384322000000001e-10 7.235231e-10 7.075316e-10 6.902882e-10 6.7158e-10 6.511349e-10 6.285970000000001e-10 6.034885e-10 5.751468e-10 5.426141e-10 5.044324e-10 4.58219e-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" [ 0.000403875 0.0119917 0.0357087 0.065143 0.0950241 0.122632 0.146951 0.167844 0.185564 0.200496 0.213039 0.22356 0.232374 0.239744 0.245886 0.250978 0.255164 0.258561 0.261267 0.263359 0.264903 0.265954 0.266557 0.266751 0.266547 0.265896 0.264732 0.262973 0.260525 0.257273 0.253077 0.247769 0.241199 0.234402 0.226495 0.217466 0.207375 0.196379 0.184751 0.17289 0.161262 0.150245 0.139779 0.128899 0.117866 0.101196 0.071841 0.0187741 -0.0761835 -0.249045 -0.575377 -1.21469 -2.46206 -4.99591 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.4707908805675e-23 1.9212821541937797e-21 5.72116447705158e-21 1.04370592468662e-20 1.522453926868794e-20 1.96478124980688e-20 2.3544145854293397e-20 2.6891573495709597e-20 2.97306304911576e-20 3.21230006410464e-20 3.41326107930726e-20 3.5818260829704e-20 3.7230419314911595e-20 3.84112234941696e-20 3.93952803827724e-20 4.0211108724805194e-20 4.0881779863797595e-20 4.1426039266367396e-20 4.18595882635278e-20 4.2194763615360596e-20 4.2442139687650195e-20 4.2610528451883603e-20 4.2707139702913796e-20 4.27382219296134e-20 4.2705537526279797e-20 4.26012358274064e-20 4.24147424672088e-20 4.21329195972882e-20 4.1740706757285e-20 4.121967891590819e-20 4.05474056002818e-20 3.96969702429546e-20 3.86443401944166e-20 3.7555340736286796e-20 3.6288499671782995e-20 3.4841894388944395e-20 3.3225137947575e-20 3.14633845208286e-20 2.96003735308134e-20 2.7700031825225996e-20 2.5837020835210796e-20 2.4071902837532998e-20 2.2395064772388597e-20 2.06518965945966e-20 1.88842151143044e-20 1.6213386665426398e-20 1.15101971563194e-20 3.0079424344379395e-21 -1.2205942359633899e-20 -3.9901407981452993e-20 -9.21855585141018e-20 -1.94614793555346e-19 -3.94465500350604e-19 -8.00433026756694e-19 ] } }