{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.78573 7.264058 6.940747 6.705844 6.521238 6.369144 6.239807 6.127295 6.027729 5.938437 5.857494 5.783471 5.715279 5.652065 5.593152 5.537991 5.486133 5.437205 5.390893 5.346932 5.305094 5.265184 5.227032 5.19049 5.165613 5.13943 5.111798 5.082547 5.051474 5.018339 4.982846 4.944636 4.903256 4.858135 4.808526 4.753438 4.691508 4.620794 4.538382 4.439624 4.316386 4.15239 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.785730000000001e-10 7.264058000000001e-10 6.940747e-10 6.705844e-10 6.521238000000001e-10 6.369144000000001e-10 6.239807e-10 6.127295000000001e-10 6.027729e-10 5.938437e-10 5.857494e-10 5.783471e-10 5.715279e-10 5.652065000000001e-10 5.593152e-10 5.537991e-10 5.486132999999999e-10 5.437205e-10 5.390893e-10 5.346932e-10 5.305094000000001e-10 5.265184e-10 5.227032000000001e-10 5.19049e-10 5.165613e-10 5.13943e-10 5.111798e-10 5.082547e-10 5.051474e-10 5.018339e-10 4.982846000000001e-10 4.944636e-10 4.903256e-10 4.858135e-10 4.808526e-10 4.753438e-10 4.691508e-10 4.6207940000000004e-10 4.5383820000000005e-10 4.4396240000000003e-10 4.316386e-10 4.15239e-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" [ 0.646738 0.869567 1.03869 1.18756 1.33271 1.47909 1.61883 1.74256 1.84742 1.93535 2.00965 2.07335 2.12885 2.17794 2.22188 2.26143 2.29694 2.32837 2.3555 2.37801 2.39562 2.40817 2.41563 2.41808 2.41688 2.41295 2.40566 2.39426 2.37779 2.35503 2.32437 2.2837 2.23017 2.15995 2.06787 1.94675 1.78656 1.57329 1.28513 0.875065 0.246196 -0.846042 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0361885033829505e-19 1.3931999176191937e-19 1.664164834258752e-19 1.902680867797248e-19 2.1352368043063682e-19 2.369763418059072e-19 2.593651579049664e-19 2.791888892341248e-19 2.959893132798336e-19 3.10077252306528e-19 3.2198142459907204e-19 3.32187289673568e-19 3.4107936991900802e-19 3.489444549505152e-19 3.5598441902231044e-19 3.623210275575744e-19 3.6801035673803527e-19 3.730459978572096e-19 3.7739270302944006e-19 3.8099920260286086e-19 3.8382063563208964e-19 3.8583136729119364e-19 3.8702659105031047e-19 3.874191243224064e-19 3.8722686312791043e-19 3.86597207715936e-19 3.8542922095937283e-19 3.8360273961166083e-19 3.8096395471720325e-19 3.7731740072826244e-19 3.7240512720888963e-19 3.6588907489209603e-19 3.5731262344095366e-19 3.46062139209696e-19 3.313092968853696e-19 3.1190373365424e-19 2.862384663656448e-19 2.520688455738432e-19 2.0590052406887044e-19 1.402008684680352e-19 3.944494753344768e-20 -1.3555087126148735e-19 ] } }