{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.5892 8.013691 7.657014 7.397869 7.194212 7.026422 6.883737 6.759613 6.649773 6.551265 6.461969 6.380307 6.305078 6.23534 6.170347 6.109493 6.052284 5.998306 5.947215 5.898717 5.852562 5.808533 5.766444 5.72613 5.698685 5.669801 5.639318 5.607047 5.572768 5.536213 5.497058 5.454904 5.409254 5.359476 5.304748 5.243975 5.175654 5.097642 5.006726 4.897776 4.76182 4.5809 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.589200000000001e-10 8.013691e-10 7.657014000000001e-10 7.397869e-10 7.194212000000001e-10 7.026422e-10 6.883737e-10 6.759613e-10 6.649773e-10 6.551265e-10 6.461969e-10 6.380307e-10 6.305078e-10 6.23534e-10 6.170346999999999e-10 6.109493e-10 6.052284e-10 5.998306000000001e-10 5.947215000000001e-10 5.898717000000001e-10 5.852562e-10 5.808533e-10 5.766444e-10 5.726130000000001e-10 5.698685000000001e-10 5.669801e-10 5.639318000000001e-10 5.607047e-10 5.572768e-10 5.536213e-10 5.497058000000001e-10 5.454904e-10 5.409254e-10 5.359476000000001e-10 5.304748e-10 5.243975e-10 5.175654e-10 5.097642e-10 5.006726e-10 4.897776000000001e-10 4.76182e-10 4.5808999999999997e-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" [ 2.08063e-05 0.456767 0.909472 1.25635 1.52436 1.73354 1.89979 2.03419 2.1442 2.23503 2.31048 2.37343 2.42606 2.47008 2.50681 2.53733 2.56244 2.5828 2.59899 2.61145 2.6206 2.62679 2.63032 2.63144 2.63089 2.62904 2.62555 2.61997 2.61173 2.60012 2.58415 2.56255 2.53357 2.49481 2.44284 2.37272 2.27848 2.15334 1.98749 1.76529 1.45581 0.975966 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.333536742535104e-24 7.318214085529536e-20 1.4571347756722176e-19 2.0128945975420804e-19 2.442293953682688e-19 2.777437259221632e-19 3.0437991224296323e-19 3.2591316602651523e-19 3.4353871103193605e-19 3.5809128127866243e-19 3.701797038825984e-19 3.802654057105344e-19 3.8869766126580484e-19 3.957504427505664e-19 4.0163523747876486e-19 4.065250805254464e-19 4.1054814602027523e-19 4.1381017762022408e-19 4.1640410156929924e-19 4.1840041363881605e-19 4.1986640524684805e-19 4.2085815257512327e-19 4.214237209222657e-19 4.2160316470379523e-19 4.215150449896512e-19 4.212186423148032e-19 4.20659482674144e-19 4.197654681197376e-19 4.1844527458419846e-19 4.1658514752744964e-19 4.1402647146403204e-19 4.10565769963104e-19 4.0592266211602565e-19 3.9971262553380483e-19 3.9138611363550723e-19 3.8015165117045762e-19 3.6505273869603845e-19 3.450031004633472e-19 3.184310012073792e-19 2.8283063669320322e-19 2.332464746326848e-19 1.563669907895693e-19 ] } }