{ "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" [ "Cf" "Cf" "Cf" "Cf" "Cf" "Cf" "Cf" "Cf" ] } "a" { "source-value" [ 11.2077 10.456741 9.991326 9.653178 9.387434 9.168491 8.982307 8.820343 8.677016 8.548477 8.431958 8.325401 8.227237 8.136238 8.051431 7.972026 7.897376 7.826942 7.760275 7.696992 7.636766 7.579314 7.524394 7.47179 7.435979 7.398289 7.358512 7.316404 7.271675 7.223975 7.172883 7.117879 7.058313 6.99336 6.921947 6.842647 6.753499 6.651704 6.533072 6.390907 6.213505 5.97743 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.12077e-09 1.0456741e-09 9.991326e-10 9.653178e-10 9.387434e-10 9.168491e-10 8.982307000000001e-10 8.820342999999999e-10 8.677016e-10 8.548477e-10 8.431958e-10 8.325400999999999e-10 8.227237000000001e-10 8.136238000000001e-10 8.051430999999999e-10 7.972026e-10 7.897376000000001e-10 7.826942e-10 7.760275e-10 7.696992e-10 7.636766e-10 7.579314e-10 7.524394000000001e-10 7.471790000000001e-10 7.435978999999999e-10 7.398289000000001e-10 7.358512000000001e-10 7.316404000000001e-10 7.271675e-10 7.223975e-10 7.172883e-10 7.117879e-10 7.058313e-10 6.993360000000001e-10 6.921947e-10 6.842647e-10 6.753499e-10 6.651704e-10 6.533072e-10 6.390907e-10 6.213505e-10 5.977430000000001e-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" [ 0.310723 0.465755 0.602011 0.726892 0.843621 0.952968 1.05612 1.15309 1.24417 1.32955 1.40942 1.48394 1.5529 1.61627 1.67425 1.72674 1.77343 1.81424 1.84906 1.87776 1.90025 1.91638 1.92631 1.92966 1.92798 1.92229 1.91148 1.89402 1.86799 1.8306 1.778 1.70482 1.60327 1.4618 1.26268 0.977763 0.559596 -0.0756441 -1.08952 -2.82692 -6.13818 -13.6791 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.978331261448385e-20 7.46221772020704e-20 9.645279496644288e-20 1.1646093682465537e-19 1.351629843015917e-19 1.5268230499705347e-19 1.692090772759296e-19 1.8474538396782721e-19 1.9933800863007362e-19 2.13017392618464e-19 2.258139772887936e-19 2.377533974669952e-19 2.48802007444032e-19 2.5895500069004162e-19 2.6824442073744004e-19 2.766542458200192e-19 2.8413480846253443e-19 2.9067329125201924e-19 2.962520702456448e-19 3.0085031714734085e-19 3.0445361236752e-19 3.070379232568704e-19 3.086288846413248e-19 3.091656138092928e-19 3.0889644813699843e-19 3.0798480963976323e-19 3.0625285671267845e-19 3.0345545633276162e-19 2.992849905888192e-19 2.93294452203648e-19 2.8486700317824004e-19 2.731422746672256e-19 2.568721710830016e-19 2.3420617842854403e-19 2.0230363755517442e-19 1.5665490192832706e-19 8.965716282931969e-20 -1.211952085214573e-20 -1.7456034718940162e-19 -4.529225132871936e-19 -9.834448490262144e-19 -2.191633421358528e-18 ] } }