{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.96845 7.434534 7.103635 6.863219 6.674281 6.518617 6.386244 6.271091 6.169189 6.077801 5.994958 5.919199 5.849406 5.784708 5.724412 5.667957 5.614882 5.564806 5.517407 5.472414 5.429594 5.388748 5.3497 5.3123 5.286839 5.260042 5.231762 5.201824 5.170022 5.136109 5.099783 5.060676 5.018326 4.972146 4.921373 4.864992 4.801609 4.729235 4.64489 4.543814 4.417684 4.24984 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.968450000000001e-10 7.434534e-10 7.103635e-10 6.863219e-10 6.674281e-10 6.518617e-10 6.386244e-10 6.271091e-10 6.169189e-10 6.077801e-10 5.994958e-10 5.919199e-10 5.849406e-10 5.784708e-10 5.724412e-10 5.667957e-10 5.614882e-10 5.564806e-10 5.517407e-10 5.472414e-10 5.429594e-10 5.388748e-10 5.349700000000001e-10 5.312299999999999e-10 5.286839e-10 5.260042e-10 5.231762e-10 5.201824e-10 5.170022000000001e-10 5.136109e-10 5.099783e-10 5.060676000000001e-10 5.018326e-10 4.972146000000001e-10 4.921373e-10 4.864992e-10 4.801609e-10 4.729235e-10 4.6448900000000006e-10 4.543814e-10 4.417684000000001e-10 4.24984e-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" [ 0.890926 1.21642 1.45851 1.65231 1.81324 1.94978 2.06721 2.16911 2.25802 2.33584 2.40403 2.46375 2.51594 2.56136 2.60065 2.63435 2.66292 2.68677 2.70624 2.72163 2.73322 2.74125 2.74593 2.74745 2.74671 2.74431 2.73986 2.7329 2.72283 2.70888 2.69002 2.66491 2.63169 2.58779 2.52954 2.4515 2.34538 2.1978 1.98591 1.66732 1.15382 0.227314 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4274208080628608e-19 1.9489196850735362e-19 2.336790623203008e-19 2.647292452314048e-19 2.905130735899392e-19 3.1238919317034244e-19 3.3120355322839684e-19 3.475297329943488e-19 3.6177468532988164e-19 3.7424282379294724e-19 3.8516806617018246e-19 3.9473626494960005e-19 4.030980247335552e-19 4.1037511094522883e-19 4.16670062888352e-19 4.22069398100448e-19 4.2664681670607367e-19 4.3046800794668163e-19 4.3358744582737924e-19 4.360531956467904e-19 4.379101183502976e-19 4.391966661768e-19 4.399464848353344e-19 4.401900156816961e-19 4.400714546117568e-19 4.396869322227648e-19 4.389739636265088e-19 4.37858848698432e-19 4.362454568412865e-19 4.340104204552705e-19 4.3098871534844163e-19 4.269656498536128e-19 4.216432191193152e-19 4.1460966375400325e-19 4.052769849378432e-19 3.9277359858911997e-19 3.757713002891904e-19 3.5212637771942403e-19 3.1817785730129284e-19 2.671341123392256e-19 1.8486234286114562e-19 3.641971763805312e-20 ] } }