{ "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" [ "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 6.24879 5.830098 5.570609 5.382077 5.233914 5.111844 5.008038 4.917736 4.837825 4.766159 4.701195 4.641785 4.587054 4.536319 4.489035 4.444763 4.403142 4.363873 4.326703 4.29142 4.257841 4.22581 4.195189 4.16586 4.145894 4.12488 4.102703 4.079226 4.054287 4.027693 3.999207 3.968539 3.935329 3.899115 3.859299 3.815086 3.765382 3.708627 3.642484 3.563221 3.464312 3.33269 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.24879e-10 5.830098e-10 5.570609e-10 5.382077e-10 5.233914e-10 5.111843999999999e-10 5.008038e-10 4.917736e-10 4.837824999999999e-10 4.766159e-10 4.701195000000001e-10 4.641785e-10 4.5870540000000004e-10 4.536319e-10 4.4890350000000005e-10 4.444763e-10 4.403142e-10 4.363873e-10 4.326703e-10 4.29142e-10 4.257841e-10 4.22581e-10 4.1951890000000003e-10 4.165860000000001e-10 4.1458940000000003e-10 4.12488e-10 4.102703e-10 4.0792260000000003e-10 4.0542870000000007e-10 4.0276930000000003e-10 3.999207e-10 3.968539e-10 3.935329e-10 3.899115e-10 3.859299e-10 3.8150860000000003e-10 3.7653819999999997e-10 3.708627e-10 3.642484e-10 3.563221e-10 3.4643120000000003e-10 3.33269e-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" [ 0 0 3.65904 4.3211 4.76259 5.13713 5.45905 5.73809 5.98126 6.19381 6.37979 6.54241 6.6843 6.80758 6.91405 7.00523 7.08242 7.14673 7.19916 7.24055 7.27167 7.29318 7.3057 7.30977 7.30781 7.3014 7.28956 7.27106 7.24432 7.20733 7.15745 7.1075 7.02891 6.91316 6.75884 6.55267 6.27315 5.88582 5.33206 4.50376 3.17758 0.805859 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 5.86242839087136e-19 6.9231654531774e-19 7.63051041532206e-19 8.23058965182042e-19 8.7463623538377e-19 9.19343372178906e-19 9.583035013878838e-19 9.92357765743554e-19 1.022155046782686e-18 1.048209643204794e-18 1.07094292746462e-18 1.090694561008572e-18 1.1077529356307698e-18 1.122361582179582e-18 1.1347287836174279e-18 1.145032381550682e-18 1.153432593642744e-18 1.1600640027308698e-18 1.165049976415878e-18 1.1684962583556119e-18 1.1705021835013799e-18 1.171154269391418e-18 1.1708402427711538e-18 1.16981324754876e-18 1.167916270414104e-18 1.164952243641204e-18 1.160668023321888e-18 1.1547415719527218e-18 1.1467499149023298e-18 1.1387470426155e-18 1.1261555364488938e-18 1.107610341910344e-18 1.082885552094456e-18 1.049853476431278e-18 1.00506943515771e-18 9.43012327592988e-19 8.54290194308604e-19 7.215819037143839e-19 5.091044428665719e-19 1.291128460098606e-19 ] } }