{ "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 5.073317 5.047603 5.020465 4.991736 4.961218 4.928675 4.893816 4.856289 4.815649 4.771334 4.722611 4.668508 4.607685 4.538234 4.457295 4.360301 4.239266 4.0782 ] "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 5.073317000000001e-10 5.047603e-10 5.020465e-10 4.991736000000001e-10 4.961218e-10 4.928675e-10 4.893816e-10 4.856289000000001e-10 4.815649e-10 4.771334e-10 4.722611e-10 4.668508e-10 4.6076850000000004e-10 4.5382340000000004e-10 4.457295e-10 4.3603009999999997e-10 4.239266e-10 4.0782e-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 3.27594 3.27344 3.26884 3.26167 3.25131 3.23701 3.21775 3.19218 3.15388 3.05396 2.9798 2.90046 2.79368 2.6466 2.4376 2.12694 1.63288 0.756026 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8403561972481282e-19 2.4706204363384324e-19 2.9304611482742405e-19 3.293370174651648e-19 3.5912468519907846e-19 3.8414908183935363e-19 4.0548526789854723e-19 4.2385262067939845e-19 4.3976543887718405e-19 4.536002339977921e-19 4.656518065394496e-19 4.761444612290688e-19 4.852560396715584e-19 4.931467595289984e-19 4.999447949310529e-19 5.057494808282112e-19 5.106489369346176e-19 5.147216699046913e-19 5.180333689798848e-19 5.206401103419264e-19 5.225963679959232e-19 5.239470028872576e-19 5.247304672548288e-19 5.24985213337536e-19 5.248634479143552e-19 5.244629037591553e-19 5.237259025135873e-19 5.225771418764736e-19 5.209172868973249e-19 5.186261743295808e-19 5.155403821579201e-19 5.114436165385345e-19 5.053072800808705e-19 4.892983312858368e-19 4.774165894659841e-19 4.647049201565568e-19 4.475968781996544e-19 4.24032064460928e-19 3.9054657308620805e-19 3.407733541844352e-19 2.616162160571904e-19 1.2112871819169409e-19 ] } }