{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 7.64662 7.134269 6.816734 6.586028 6.404721 6.255345 6.128319 6.017816 5.92003 5.832333 5.752836 5.680136 5.613163 5.551078 5.493217 5.439042 5.388111 5.340057 5.294573 5.251397 5.210307 5.17111 5.13364 5.09775 5.061467 5.024077 4.985511 4.945692 4.904536 4.86195 4.81783 4.772064 4.724522 4.675061 4.62352 4.569717 4.513443 4.454461 4.392496 4.327232 4.258296 4.18525 4.107575 4.024642 3.935689 3.839771 3.735705 3.621978 3.496609 3.356942 3.199289 3.018324 2.805935 2.54887 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.64662e-10 7.134269e-10 6.816734e-10 6.586028e-10 6.404721e-10 6.255345e-10 6.128319e-10 6.017816e-10 5.920029999999999e-10 5.832333000000001e-10 5.752836e-10 5.680136e-10 5.613163e-10 5.551078000000001e-10 5.493216999999999e-10 5.439041999999999e-10 5.388111000000001e-10 5.340057e-10 5.294573e-10 5.251397e-10 5.210307e-10 5.17111e-10 5.13364e-10 5.097749999999999e-10 5.061467e-10 5.024077e-10 4.985511e-10 4.945692e-10 4.904536e-10 4.86195e-10 4.81783e-10 4.772064e-10 4.724522e-10 4.675061000000001e-10 4.6235200000000003e-10 4.569717e-10 4.513443e-10 4.4544610000000005e-10 4.3924960000000004e-10 4.3272320000000007e-10 4.258296e-10 4.18525e-10 4.107575e-10 4.024642e-10 3.9356890000000003e-10 3.839771e-10 3.735705e-10 3.621978e-10 3.496609e-10 3.356942e-10 3.199289e-10 3.0183239999999997e-10 2.805935e-10 2.54887e-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" [ 1.14866 1.54204 1.82905 2.05556 2.24148 2.39767 2.53084 2.64548 2.7448 2.83115 2.90637 2.97186 3.02873 3.07798 3.12041 3.15664 3.18722 3.21264 3.23331 3.24958 3.26179 3.27022 3.27511 3.2767 3.27501 3.26958 3.25979 3.24492 3.22412 3.19637 3.15777 3.05536 2.98239 2.91082 2.82338 2.71676 2.58709 2.42949 2.23786 2.00441 1.71915 1.36905 0.936915 0.399662 -0.27427 -1.12882 -2.22687 -3.66079 -5.57098 -8.17947 -11.8555 -17.2525 -25.6258 -39.6701 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.84035621241044e-19 2.47062045669336e-19 2.9304611724176997e-19 3.2933702017850396e-19 3.59124688157832e-19 3.8414908500427803e-19 4.0548527123925597e-19 4.23852624171432e-19 4.3976544250032e-19 4.5360023773491e-19 4.65651810375858e-19 4.76144465151924e-19 4.85256043669482e-19 4.93146763591932e-19 4.99944799049994e-19 5.057494849949759e-19 5.10648941141748e-19 5.14721674145376e-19 5.18033373247854e-19 5.206401146313719e-19 5.22596372301486e-19 5.23947007203948e-19 5.24730471577974e-19 5.249852176627799e-19 5.24714449811634e-19 5.23844467899372e-19 5.22275936974686e-19 5.19893500319928e-19 5.16560972921208e-19 5.121149327618579e-19 5.05930530954618e-19 4.89522640045824e-19 4.77831557147526e-19 4.66364778977988e-19 4.52355346490292e-19 4.35272939218584e-19 4.1449751480550595e-19 3.8924721105366595e-19 3.5854470021632397e-19 3.21141886695594e-19 2.7543819603411e-19 2.1934599207777e-19 1.50110332104411e-19 6.40329117897708e-20 -4.3942898540718e-20 -1.8085690279918797e-19 -3.5678390809555796e-19 -5.86523219998086e-19 -8.925693984481319e-19 -1.310495571250398e-18 -1.8994605084387e-18 -2.7641552378085e-18 -4.10570579875572e-18 -6.355850728844339e-18 ] } }