{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.31283 4.023854 3.844759 3.714637 3.612376 3.528125 3.45648 3.394155 3.339001 3.289538 3.244701 3.203697 3.165922 3.130905 3.098271 3.067715 3.038989 3.011886 2.986232 2.96188 2.938704 2.916596 2.895462 2.87522 2.86144 2.846936 2.83163 2.815427 2.798214 2.779859 2.760199 2.739033 2.716111 2.691117 2.663637 2.633122 2.598817 2.559645 2.513995 2.459289 2.391023 2.30018 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.31283e-10 4.023854e-10 3.844759e-10 3.714637e-10 3.612376e-10 3.528125e-10 3.45648e-10 3.394155e-10 3.3390010000000004e-10 3.289538e-10 3.244701e-10 3.203697e-10 3.165922e-10 3.130905e-10 3.098271e-10 3.0677150000000003e-10 3.038989e-10 3.0118860000000004e-10 2.9862320000000004e-10 2.9618799999999997e-10 2.938704e-10 2.9165960000000003e-10 2.8954620000000003e-10 2.87522e-10 2.86144e-10 2.846936e-10 2.83163e-10 2.815427e-10 2.7982140000000005e-10 2.779859e-10 2.760199e-10 2.739033e-10 2.7161110000000005e-10 2.6911170000000004e-10 2.663637e-10 2.633122e-10 2.598817e-10 2.559645e-10 2.5139950000000003e-10 2.459289e-10 2.3910230000000004e-10 2.3001800000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.864889 1.23548 1.65185 1.91771 2.13797 2.32757 2.49257 2.63715 2.76435 2.87649 2.97539 3.06249 3.13898 3.20586 3.26395 3.31397 3.35653 3.39217 3.42135 3.44449 3.46195 3.47408 3.48116 3.48346 3.48235 3.47869 3.4719 3.46128 3.44588 3.4245 3.39556 3.35695 3.30576 3.23797 3.1478 3.02671 2.86157 2.63123 2.29939 1.79845 0.987249 -0.486933 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.385704946803626e-19 1.9794571877743198e-19 2.6465554728728997e-19 3.07251015278814e-19 3.42540557819298e-19 3.72917826799938e-19 3.99353741260938e-19 4.2251801103531e-19 4.428976978197899e-19 4.608645065934659e-19 4.76710033503726e-19 4.906649919858659e-19 5.02920041059332e-19 5.13635398387524e-19 5.2294244245442995e-19 5.309565299776979e-19 5.377753937320019e-19 5.43485551255578e-19 5.4816070267359e-19 5.51868139404666e-19 5.5466553980763e-19 5.566089800646719e-19 5.57743321121544e-19 5.581118217473639e-19 5.579339801409899e-19 5.573475834929459e-19 5.5625970555846e-19 5.54558193973152e-19 5.52090841956792e-19 5.486653883133e-19 5.44028689134504e-19 5.378426851506299e-19 5.29641142961184e-19 5.187799875592979e-19 5.0433316085052e-19 4.84932403989414e-19 4.58474059055538e-19 4.21569522467982e-19 3.6840289304532594e-19 2.8814345674173e-19 1.581747279739866e-19 -7.80152674923522e-20 ] } }