{ "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" [ 5.34301 4.985009 4.763135 4.601931 4.475244 4.370869 4.282111 4.204898 4.136571 4.075293 4.019746 3.968947 3.92215 3.878769 3.838339 3.800485 3.764897 3.73132 3.699538 3.669369 3.640658 3.61327 3.587087 3.56201 3.544938 3.52697 3.508008 3.487934 3.46661 3.44387 3.419514 3.393292 3.364895 3.33393 3.299886 3.262081 3.219582 3.171054 3.114499 3.046725 2.962153 2.84961 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.34301e-10 4.985009e-10 4.763135000000001e-10 4.6019310000000005e-10 4.4752440000000003e-10 4.370869e-10 4.2821109999999995e-10 4.204898e-10 4.136571e-10 4.075293e-10 4.019746e-10 3.968947e-10 3.9221499999999997e-10 3.878769e-10 3.838339e-10 3.8004850000000003e-10 3.764897e-10 3.7313200000000005e-10 3.699538e-10 3.669369e-10 3.640658e-10 3.61327e-10 3.587087e-10 3.56201e-10 3.544938e-10 3.52697e-10 3.508008e-10 3.4879340000000004e-10 3.4666100000000003e-10 3.44387e-10 3.419514e-10 3.393292e-10 3.3648950000000004e-10 3.33393e-10 3.299886e-10 3.2620809999999997e-10 3.219582e-10 3.171054e-10 3.114499e-10 3.046725e-10 2.962153e-10 2.84961e-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" [ 0.592028 1.6277 2.28569 2.64545 2.85513 3.02477 3.19525 3.3741 3.54548 3.69928 3.83245 3.94558 4.03983 4.11685 4.1801 4.23287 4.2767 4.31256 4.34127 4.36354 4.38 4.39119 4.3976 4.39965 4.39867 4.39542 4.38879 4.37659 4.35585 4.32257 4.27127 4.19442 4.08144 3.9173 3.68185 3.34829 2.87941 2.21847 1.27288 -0.138889 -2.44093 -6.86706 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.485334204589825e-20 2.60786288567616e-19 3.6620790803963527e-19 4.23847814149536e-19 4.574422535344704e-19 4.8462157772972165e-19 5.119354847611201e-19 5.40590413624128e-19 5.680485165513984e-19 5.926899929793024e-19 6.14026179038496e-19 6.321516031496064e-19 6.472521178006465e-19 6.595920821340481e-19 6.697258492606081e-19 6.7818053528856965e-19 6.85202875417536e-19 6.909482807797249e-19 6.955481298580416e-19 6.991161771925633e-19 7.017533599104001e-19 7.035461955490753e-19 7.04573190763008e-19 7.049016369702721e-19 7.047446236614337e-19 7.0422391625967355e-19 7.031616731600833e-19 7.012070176827073e-19 6.978841033711681e-19 6.925520595771456e-19 6.8433289351244165e-19 6.720201661815936e-19 6.539187747197952e-19 6.276206476659841e-19 5.89897399129248e-19 5.364551957658433e-19 4.613323383697728e-19 3.554380767946176e-19 2.0393785770839042e-19 -2.2252470868629124e-20 -3.910800979009344e-19 -1.1002242985630849e-18 ] } }