{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.01756 7.480354 7.147415 6.905517 6.715415 6.558792 6.425603 6.30974 6.20721 6.115259 6.031905 5.955679 5.885456 5.82036 5.759692 5.702889 5.649487 5.599102 5.551411 5.506141 5.463057 5.421959 5.382671 5.34504 5.306997 5.267794 5.227357 5.185606 5.142454 5.097802 5.051542 5.003556 4.953707 4.901847 4.847807 4.791393 4.73239 4.670546 4.605576 4.537146 4.464866 4.388277 4.306834 4.219878 4.12661 4.026039 3.916926 3.797682 3.666232 3.519789 3.354489 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.01756e-10 7.480354e-10 7.147415e-10 6.905517e-10 6.715415e-10 6.558792000000001e-10 6.425603e-10 6.30974e-10 6.20721e-10 6.115259e-10 6.031905e-10 5.955679e-10 5.885455999999999e-10 5.820360000000001e-10 5.759692000000001e-10 5.702889e-10 5.649487e-10 5.599102e-10 5.551411e-10 5.506141000000001e-10 5.463057e-10 5.421959000000001e-10 5.382671e-10 5.34504e-10 5.306997e-10 5.267794e-10 5.227357e-10 5.185606e-10 5.142454e-10 5.097802e-10 5.051542000000001e-10 5.003556e-10 4.953707e-10 4.901847e-10 4.847807000000001e-10 4.791393e-10 4.73239e-10 4.670546e-10 4.605576e-10 4.537146e-10 4.464866e-10 4.3882770000000007e-10 4.3068340000000006e-10 4.219878e-10 4.1266100000000006e-10 4.026039e-10 3.916926e-10 3.797682e-10 3.666232e-10 3.519789e-10 3.3544890000000003e-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" [ 0.695826 1.12137 1.40621 1.59148 1.69807 1.75551 1.79004 1.81279 1.82795 1.83848 1.85025 1.86709 1.89028 1.91651 1.94195 1.96521 1.98665 2.00663 2.02544 2.04311 2.05857 2.07056 2.07817 2.08075 2.07792 2.06898 2.05413 2.03391 2.00885 1.97945 1.94618 1.90811 1.86165 1.80204 1.72332 1.61805 1.47744 1.29037 0.98939 0.474689 -0.165579 -0.984491 -2.03054 -3.35325 -5.02972 -7.20237 -10.0793 -13.9416 -19.2287 -26.6904 -37.375 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1148361585296838e-19 1.7966328120685798e-19 2.25299680449714e-19 2.5498320694783197e-19 2.72060807689638e-19 2.8126371027533397e-19 2.86796026192536e-19 2.9044097803488596e-19 2.9286987781202996e-19 2.9455696980763196e-19 2.9644273170584996e-19 2.9914079715750595e-19 3.0285624477175196e-19 3.0705875408273397e-19 3.1113469143963e-19 3.1486135429031395e-19 3.1829642099360997e-19 3.2149756990834194e-19 3.24511264156896e-19 3.27342310269174e-19 3.29819275345338e-19 3.31740285129504e-19 3.32959541547978e-19 3.3337290311954997e-19 3.32919487132128e-19 3.3148714122133197e-19 3.2910790891984194e-19 3.25868307765894e-19 3.2185325312108994e-19 3.1714285381712997e-19 3.11812412155812e-19 3.05712925710174e-19 2.9826921306861e-19 2.8871863815333597e-19 2.7610630369048797e-19 2.5924019026437e-19 2.36711984613696e-19 2.06740066321458e-19 1.5851775399132598e-19 7.60535624216826e-20 -2.6528680488108598e-20 -1.577328476583294e-19 -3.2532837424023593e-19 -5.3724987979605e-19 -8.05849985956248e-19 -1.153946892342258e-18 -1.6148818947076199e-18 -2.2336905760574398e-18 -3.08077738421958e-18 -4.27627352321136e-18 -5.988135169575e-18 ] } }