{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.32975 4.039641 3.859843 3.72921 3.626548 3.541966 3.47004 3.40747 3.352101 3.302444 3.25743 3.216265 3.178343 3.143189 3.110426 3.07975 3.050911 3.023702 2.997947 2.9735 2.950233 2.928039 2.906822 2.8865 2.865956 2.844784 2.822947 2.8004 2.777097 2.752983 2.728001 2.702087 2.675167 2.647161 2.617977 2.587512 2.555648 2.522251 2.487165 2.45021 2.411177 2.369816 2.325834 2.278875 2.228507 2.174196 2.115271 2.050875 1.979887 1.900804 1.811536 1.709068 1.588808 1.44325 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.32975e-10 4.039641e-10 3.859843e-10 3.7292100000000005e-10 3.626548e-10 3.5419660000000003e-10 3.47004e-10 3.40747e-10 3.3521010000000006e-10 3.302444e-10 3.25743e-10 3.2162650000000003e-10 3.178343e-10 3.143189e-10 3.110426e-10 3.07975e-10 3.050911e-10 3.023702e-10 2.997947e-10 2.9735e-10 2.950233e-10 2.928039e-10 2.906822e-10 2.8865e-10 2.865956e-10 2.8447840000000004e-10 2.822947e-10 2.8004e-10 2.777097e-10 2.752983e-10 2.728001e-10 2.7020870000000004e-10 2.675167e-10 2.6471610000000004e-10 2.617977e-10 2.587512e-10 2.555648e-10 2.522251e-10 2.487165e-10 2.45021e-10 2.411177e-10 2.3698160000000004e-10 2.325834e-10 2.2788750000000003e-10 2.228507e-10 2.1741959999999999e-10 2.115271e-10 2.0508750000000002e-10 1.979887e-10 1.900804e-10 1.811536e-10 1.7090680000000002e-10 1.588808e-10 1.44325e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.968012 1.33509 1.62655 1.86584 2.06636 2.23756 2.3854 2.51392 2.62689 2.72638 2.8134 2.88928 2.95513 3.01183 3.06017 3.10374 3.14109 3.17198 3.19991 3.22212 3.23893 3.25062 3.25747 3.2597 3.2573 3.2495 3.23532 3.21358 3.18288 3.14265 3.09221 3.02701 2.94406 2.83968 2.70929 2.55028 2.35605 2.11483 1.81503 1.44154 0.974447 0.388804 -0.351102 -1.29432 -2.4921 -4.05478 -6.1319 -8.94526 -12.8428 -18.4455 -26.7921 -39.9059 -62.1725 -104.262 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.550926207831608e-19 2.13905000228706e-19 2.6060204040327e-19 2.9894052507825595e-19 3.3106737094322396e-19 3.58496634917304e-19 3.8218321427436e-19 4.02774388374528e-19 4.2087417780882596e-19 4.368142331404919e-19 4.5075637420956e-19 4.62913690508352e-19 4.734640236432419e-19 4.825483651580219e-19 4.902932870067779e-19 4.97273970601116e-19 5.03258100329106e-19 5.08207223951532e-19 5.12682103290294e-19 5.16240537594408e-19 5.189337965161619e-19 5.20806741001308e-19 5.21904231995598e-19 5.2226151738498e-19 5.2187699499281995e-19 5.206272972183e-19 5.18355410751288e-19 5.148722787489719e-19 5.09953596482592e-19 5.0350803988401e-19 4.95426660942114e-19 4.84980469288434e-19 4.716904141094039e-19 4.54966894403712e-19 4.34076113272986e-19 4.0859990261575193e-19 3.7748082585357003e-19 3.3883312108822196e-19 2.9079986560090194e-19 2.30960170497636e-19 1.5612362144713978e-19 6.22932684005736e-20 -5.62527420550668e-20 -2.0737292609188797e-19 -3.9927843895914e-19 -6.49647377201052e-19 -9.824386902024598e-19 -1.4331886557054838e-18 -2.05764340751352e-18 -2.9552949102446998e-18 -4.2925676595791396e-18 -6.39363005387406e-18 -9.961132677736499e-18 -1.67046140214108e-17 ] } }