{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.55072 5.178801 4.948301 4.78083 4.649218 4.540785 4.448576 4.368362 4.297378 4.233718 4.176011 4.123238 4.074621 4.029554 3.987552 3.948226 3.911255 3.876372 3.843355 3.812013 3.782186 3.753732 3.726532 3.70048 3.674142 3.647001 3.619006 3.590101 3.560225 3.529312 3.497286 3.464063 3.429552 3.393649 3.356235 3.317179 3.27633 3.233514 3.188534 3.141158 3.091117 3.038094 2.981709 2.921508 2.856936 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.55072e-10 5.178801e-10 4.948301e-10 4.78083e-10 4.6492180000000004e-10 4.540785e-10 4.448576e-10 4.3683620000000004e-10 4.2973780000000003e-10 4.2337179999999996e-10 4.176011e-10 4.123238e-10 4.0746209999999995e-10 4.029554e-10 3.987552e-10 3.9482260000000004e-10 3.9112550000000004e-10 3.876372e-10 3.843355e-10 3.812013e-10 3.782186e-10 3.753732e-10 3.7265320000000004e-10 3.70048e-10 3.6741419999999997e-10 3.647001e-10 3.6190060000000005e-10 3.590101e-10 3.560225e-10 3.529312e-10 3.497286e-10 3.464063e-10 3.4295520000000004e-10 3.393649e-10 3.356235e-10 3.317179e-10 3.27633e-10 3.233514e-10 3.1885340000000004e-10 3.141158e-10 3.091117e-10 3.038094e-10 2.981709e-10 2.921508e-10 2.8569360000000003e-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" [ 0.473299 0.920468 1.27762 1.6451 1.97554 2.27595 2.54451 2.77694 2.97841 3.15816 3.32139 3.46775 3.59515 3.70283 3.79091 3.85998 3.91098 3.94608 3.96917 3.98347 3.99153 3.99605 3.99897 4.00007 3.99869 3.99381 3.98417 3.96825 3.9449 3.91564 3.88278 3.84867 3.81615 3.787 3.75643 3.71872 3.66694 3.59063 3.45762 3.20346 2.74078 1.97833 0.850418 -0.703215 -2.81724 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.58308598695566e-20 1.4747523219447118e-19 2.0469729111310797e-19 2.6357407805934e-19 3.16516402753236e-19 3.6464739101522997e-19 4.0767544669793395e-19 4.44914838201996e-19 4.771938908471939e-19 5.059930158433439e-19 5.32145345040126e-19 5.5559480225535e-19 5.760065325725099e-19 5.932587705674219e-19 6.073707423596939e-19 6.18436976370732e-19 6.266080772041319e-19 6.322317171894719e-19 6.35931143037378e-19 6.38222255623998e-19 6.39513609991002e-19 6.402377938295699e-19 6.407056294066979e-19 6.40881868836438e-19 6.406607684609459e-19 6.398789062635539e-19 6.38334407988378e-19 6.357837427870499e-19 6.320426603466599e-19 6.27354691515576e-19 6.220899390962519e-19 6.166249145976779e-19 6.114146361839099e-19 6.067442912958e-19 6.018464373256619e-19 5.95804629238848e-19 5.87508558627996e-19 5.75282348733942e-19 5.539717973251079e-19 5.13250875995364e-19 4.391213674934519e-19 3.16963410034122e-19 1.362519848733012e-19 -1.12667464167831e-19 -4.51371610037016e-19 ] } }