{ "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" [ 1.84035621241044e-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 5.248634522385959e-19 5.24462908080096e-19 5.237259068284559e-19 5.22577146181878e-19 5.20917291189054e-19 5.18626178602434e-19 5.1554038640535e-19 5.11443620752212e-19 5.053072842439919e-19 4.89298335317064e-19 4.774165933993199e-19 4.647049239851639e-19 4.47596881887312e-19 4.2403206795443993e-19 3.9054657630384e-19 3.4077335699199597e-19 2.61616218212592e-19 1.211287191896484e-19 ] } }