{ "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" [ 4.34832 4.056966 3.876397 3.745204 3.642102 3.557158 3.484923 3.422085 3.366478 3.316608 3.271401 3.23006 3.191974 3.156669 3.123766 3.092959 3.063997 3.03667 3.010805 2.986253 2.962886 2.940597 2.919289 2.89888 2.878247 2.856986 2.835055 2.812411 2.789007 2.76479 2.739702 2.713676 2.686641 2.658515 2.629206 2.59861 2.566609 2.533069 2.497832 2.460719 2.421518 2.37998 2.335809 2.288649 2.238065 2.183521 2.124343 2.059671 1.988379 1.908956 1.819306 1.716398 1.595622 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3483200000000006e-10 4.056966e-10 3.876397e-10 3.7452040000000004e-10 3.642102e-10 3.557158e-10 3.484923e-10 3.4220850000000004e-10 3.366478e-10 3.316608e-10 3.271401e-10 3.23006e-10 3.1919740000000004e-10 3.156669e-10 3.123766e-10 3.092959e-10 3.063997e-10 3.03667e-10 3.010805e-10 2.9862530000000003e-10 2.9628860000000004e-10 2.940597e-10 2.919289e-10 2.89888e-10 2.878247e-10 2.856986e-10 2.835055e-10 2.812411e-10 2.789007e-10 2.76479e-10 2.739702e-10 2.713676e-10 2.686641e-10 2.6585150000000003e-10 2.629206e-10 2.59861e-10 2.566609e-10 2.5330689999999997e-10 2.497832e-10 2.460719e-10 2.421518e-10 2.3799800000000004e-10 2.335809e-10 2.288649e-10 2.2380650000000002e-10 2.183521e-10 2.124343e-10 2.059671e-10 1.9883789999999999e-10 1.9089560000000003e-10 1.8193060000000002e-10 1.7163980000000003e-10 1.5956220000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.912086 1.3399 1.64612 1.87853 2.08713 2.2776 2.45066 2.60301 2.73768 2.8572 2.96348 3.05801 3.14199 3.2164 3.28032 3.33414 3.37914 3.41627 3.4463 3.46985 3.48745 3.49957 3.50659 3.50886 3.50656 3.49991 3.48818 3.47035 3.4464 3.41586 3.37697 3.32768 3.26548 3.18734 3.08953 2.96745 2.81537 2.62898 2.40133 2.12068 1.77183 1.34086 0.807169 0.135081 -0.724089 -1.83574 -3.29068 -5.19494 -7.70792 -11.1225 -15.8424 -22.4844 -31.4497 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4613228773985238e-19 2.1467564718966e-19 2.63737500076008e-19 3.00973687226802e-19 3.34395091812042e-19 3.6491175015984e-19 3.9263901898784396e-19 4.1704818000683395e-19 4.38624692736912e-19 4.5777390786648e-19 4.74801841132632e-19 4.89947216853834e-19 5.034022962261659e-19 5.1532409255976e-19 5.25565205604288e-19 5.34188120248476e-19 5.41397915101476e-19 5.47346796943518e-19 5.5215813337542e-19 5.5593125934849e-19 5.5875109022433e-19 5.606929283047379e-19 5.618176563018059e-19 5.621813503977239e-19 5.61812849771904e-19 5.60747402310294e-19 5.588680491186119e-19 5.560113681801899e-19 5.5217415514176e-19 5.47281107701524e-19 5.410502427718979e-19 5.331531141429119e-19 5.231875754794319e-19 5.10668167261356e-19 4.94997277604202e-19 4.754379052563299e-19 4.51072003006458e-19 4.2120903272533195e-19 3.84735481652322e-19 3.39770394419112e-19 2.83878462542022e-19 2.1482945614652398e-19 1.293227311489146e-19 2.16423621897354e-20 -1.160118476736426e-19 -2.94117973409916e-19 -5.272250605971119e-19 -8.323211483031959e-19 -1.2349449320741278e-18 -1.7820209611665e-18 -2.5382323106481596e-18 -3.6023980309509595e-18 -5.03879744863098e-18 ] } }