{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 4.9875 4.653319 4.446207 4.295729 4.177472 4.080041 3.997188 3.925113 3.861332 3.804132 3.75228 3.704861 3.661178 3.620683 3.582944 3.547608 3.514388 3.483045 3.453378 3.425216 3.398415 3.372849 3.348409 3.325 3.301335 3.276947 3.251793 3.225821 3.198977 3.1712 3.142423 3.112572 3.081563 3.049302 3.015685 2.980592 2.943887 2.905416 2.865 2.822431 2.777468 2.729825 2.679161 2.625068 2.567049 2.504487 2.43661 2.362432 2.28066 2.189563 2.086734 1.9687 1.83017 1.6625 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.9875e-10 4.6533189999999997e-10 4.4462070000000003e-10 4.295729e-10 4.177472e-10 4.0800409999999995e-10 3.997188e-10 3.925113e-10 3.8613320000000003e-10 3.804132e-10 3.75228e-10 3.7048610000000003e-10 3.661178e-10 3.620683e-10 3.582944e-10 3.547608e-10 3.514388e-10 3.483045e-10 3.453378e-10 3.425216e-10 3.398415e-10 3.372849e-10 3.3484090000000003e-10 3.3250000000000004e-10 3.301335e-10 3.276947e-10 3.2517930000000004e-10 3.225821e-10 3.1989770000000004e-10 3.1712e-10 3.142423e-10 3.112572e-10 3.081563e-10 3.049302e-10 3.015685e-10 2.980592e-10 2.943887e-10 2.9054160000000006e-10 2.8650000000000004e-10 2.822431e-10 2.777468e-10 2.729825e-10 2.6791610000000004e-10 2.625068e-10 2.567049e-10 2.504487e-10 2.43661e-10 2.3624320000000004e-10 2.28066e-10 2.1895630000000002e-10 2.0867339999999999e-10 1.9687e-10 1.83017e-10 1.6625000000000002e-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" [ 3.41111 4.2652 4.84648 5.28429 5.63116 5.91437 6.15013 6.34897 6.51814 6.66288 6.78712 6.89389 6.98555 7.06403 7.13089 7.18741 7.2347 7.27365 7.30507 7.32963 7.34792 7.36044 7.36767 7.37 7.36754 7.35967 7.34559 7.32434 7.29482 7.25573 7.20554 7.14244 7.06425 6.96838 6.85173 6.71049 6.54005 6.3347 6.08738 5.7892 5.42893 4.99216 4.46015 3.80821 3.00328 2.00007 0.735384 -0.881404 -2.98437 -5.77903 -9.59538 -14.9936 -22.997 -35.6687 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.46520073800374e-19 6.8336037793368e-19 7.764917013148319e-19 8.46636596527986e-19 9.02211297431544e-19 9.47586541883058e-19 9.85359458206242e-19 1.0172171383966978e-18 1.044321160514076e-18 1.067511065114592e-18 1.087416507615408e-18 1.104522947536626e-18 1.11920849856387e-18 1.1317823807875019e-18 1.142494533762426e-18 1.151550036097794e-18 1.15912672939998e-18 1.1653672073894099e-18 1.1704012463734378e-18 1.1743361921865419e-18 1.177266573250128e-18 1.179272498395896e-18 1.180430872102278e-18 1.180804179258e-18 1.180410043806036e-18 1.179149130795078e-18 1.176893266094406e-18 1.173488640747156e-18 1.168759015323588e-18 1.1624961068612818e-18 1.154454782335236e-18 1.144345047774696e-18 1.13181762867345e-18 1.1164575612832918e-18 1.097768170847682e-18 1.075139028069066e-18 1.0478315295191698e-18 1.0149308323399798e-18 9.753057998278918e-19 9.275320969552799e-19 8.69810479362162e-19 7.998322105189439e-19 7.145948114135099e-19 6.101425079365139e-19 4.81178504135952e-19 3.20446542036438e-19 1.178215061817456e-19 -1.412164893914136e-19 -4.78148788121058e-19 -9.25902683318502e-19 -1.537349363035092e-18 -2.40223955795424e-18 -3.6845256052097994e-18 -5.71475577051558e-18 ] } }