{ "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" [ "Zr" "Zr" ] } "a" { "source-value" [ 5.40149 5.03957 4.815266 4.652297 4.524223 4.418705 4.328975 4.250917 4.181842 4.119893 4.063737 4.012383 3.965073 3.921217 3.880345 3.842076 3.806098 3.772154 3.740024 3.709525 3.680499 3.652811 3.626342 3.60099 3.57536 3.548949 3.521706 3.493578 3.464506 3.434423 3.403258 3.370929 3.337346 3.302407 3.266 3.227993 3.188242 3.146578 3.102807 3.056704 3.008009 2.956411 2.901542 2.842959 2.780123 2.712368 2.638857 2.558521 2.469962 2.371303 2.259938 2.132107 1.982078 1.80049 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.40149e-10 5.039570000000001e-10 4.815266e-10 4.652297e-10 4.5242230000000004e-10 4.4187050000000005e-10 4.328975e-10 4.2509170000000005e-10 4.181842e-10 4.1198930000000003e-10 4.063737e-10 4.012383e-10 3.965073e-10 3.921217e-10 3.8803450000000004e-10 3.842076e-10 3.8060980000000003e-10 3.772154e-10 3.740024e-10 3.709525e-10 3.6804990000000006e-10 3.652811e-10 3.626342e-10 3.60099e-10 3.57536e-10 3.548949e-10 3.521706e-10 3.493578e-10 3.464506e-10 3.434423e-10 3.403258e-10 3.370929e-10 3.337346e-10 3.302407e-10 3.266e-10 3.2279930000000005e-10 3.188242e-10 3.146578e-10 3.102807e-10 3.056704e-10 3.008009e-10 2.956411e-10 2.901542e-10 2.8429590000000003e-10 2.780123e-10 2.712368e-10 2.638857e-10 2.558521e-10 2.4699620000000006e-10 2.3713030000000003e-10 2.259938e-10 2.132107e-10 1.982078e-10 1.80049e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 2.61671 3.36841 3.89352 4.29549 4.61752 4.88262 5.10596 5.30143 5.46873 5.60902 5.72875 5.83147 5.91946 5.99452 6.05808 6.11135 6.15534 6.19102 6.21918 6.24082 6.25714 6.26933 6.27751 6.28046 6.2772 6.26704 6.24971 6.2248 6.19122 6.14687 6.08967 6.01774 5.92887 5.82023 5.68833 5.52886 5.33656 5.1049 4.82582 4.48949 4.08421 3.59222 2.99053 2.25204 1.34439 0.225708 -1.18462 -2.99859 -5.34342 -8.42232 -12.5486 -18.2473 -26.171 -37.2474 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.1924316199541396e-19 5.396787795731939e-19 6.238106768011679e-19 6.88213370958066e-19 7.39808265102768e-19 7.822819676701079e-19 8.180649806138639e-19 8.493827272786619e-19 8.76187142365482e-19 8.98664078363868e-19 9.178469392027499e-19 9.34304497587198e-19 9.484020497897638e-19 9.604279876045678e-19 9.70611422290272e-19 9.7914621721959e-19 9.86194192232556e-19 9.91910758462668e-19 9.964224878640118e-19 9.99889598099988e-19 1.0025043503666758e-18 1.004457403683522e-18 1.005767984170134e-18 1.006240626277164e-18 1.00571831669448e-18 1.0040905052343359e-18 1.001313933127614e-18 9.9732291113232e-19 9.91942801995348e-19 9.84837148623558e-19 9.756726982770778e-19 9.641482417487159e-19 9.49909698002358e-19 9.325036510505818e-19 9.113709412481218e-19 8.858210304657239e-19 8.55011173793904e-19 8.178951498906599e-19 7.731816043889879e-19 7.192955976576659e-19 6.5436258303491395e-19 5.75537094818748e-19 4.79135728927602e-19 3.60816586683336e-19 2.1539502449832599e-19 3.61624083706872e-20 -1.8979704841690798e-19 -4.80427083294606e-19 -8.56110266964828e-19 -1.3494044308070878e-18 -2.01050737094124e-18 -2.9235397693588197e-18 -4.1930564688413995e-18 -5.96769139572516e-18 ] } }