{ "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 3.02877 3.07806 3.12048 3.1567 3.18727 3.21268 3.23334 3.24961 3.26181 3.27022 3.27511 3.2767 3.27594 3.27344 3.26884 3.26167 3.25131 3.23701 3.21775 3.19218 3.1585 3.11418 3.05564 2.97766 2.87226 2.7267 2.51751 2.12704 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 4.852624483780416e-19 4.931595769419648e-19 4.999560101673985e-19 5.05759093887936e-19 5.106569478177216e-19 5.147280786111745e-19 5.180381755097473e-19 5.206449168717888e-19 5.225995723491648e-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 5.060474856796801e-19 4.989466388962944e-19 4.895674969581312e-19 4.770737236691329e-19 4.601867820859008e-19 4.3686549919353605e-19 4.0334956646302084e-19 3.4078937595064324e-19 2.616162160571904e-19 1.2112871819169409e-19 ] } }