{ "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" [ 8.29574 7.739894 7.395403 7.145112 6.948413 6.786356 6.648546 6.528663 6.422576 6.327433 6.241188 6.162317 6.089657 6.022302 5.95953 5.900755 5.8455 5.793367 5.744021 5.69718 5.652602 5.610078 5.569426 5.53049 5.491127 5.450564 5.408724 5.365525 5.320875 5.274674 5.22681 5.177158 5.12558 5.071921 5.016006 4.957635 4.896584 4.832596 4.765371 4.694567 4.619779 4.540534 4.456265 4.366292 4.269788 4.165728 4.052829 3.929448 3.793437 3.641914 3.470879 3.274553 3.044136 2.76525 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.295740000000001e-10 7.739893999999999e-10 7.395403e-10 7.145112e-10 6.948413000000001e-10 6.786356e-10 6.648546e-10 6.528663e-10 6.422576000000001e-10 6.327433e-10 6.241188e-10 6.162317e-10 6.089657e-10 6.022302e-10 5.95953e-10 5.900755e-10 5.8455e-10 5.793367e-10 5.744021e-10 5.697180000000001e-10 5.652602e-10 5.610078e-10 5.569426e-10 5.530490000000001e-10 5.491127e-10 5.450564e-10 5.408724000000001e-10 5.365525e-10 5.320875e-10 5.274674e-10 5.226810000000001e-10 5.177158000000001e-10 5.12558e-10 5.071921e-10 5.016006e-10 4.957635e-10 4.896584e-10 4.832596e-10 4.765371e-10 4.694567e-10 4.6197790000000005e-10 4.5405340000000005e-10 4.456265e-10 4.3662919999999997e-10 4.2697880000000004e-10 4.165728e-10 4.052829e-10 3.929448e-10 3.793437e-10 3.641914e-10 3.4708790000000004e-10 3.2745530000000003e-10 3.044136e-10 2.76525e-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" [ 0.574438 0.781209 0.936981 1.06293 1.16815 1.25786 1.33653 1.40518 1.46535 1.51871 1.5658 1.60723 1.64357 1.67529 1.70278 1.7264 1.74659 1.76354 1.77736 1.78825 1.79638 1.80204 1.80552 1.80665 1.80543 1.80147 1.79428 1.78325 1.76767 1.74668 1.71963 1.68507 1.64132 1.58647 1.51846 1.43406 1.32952 1.20004 1.03961 0.840191 0.591513 0.279427 -0.115951 -0.61939 -1.2692 -2.12131 -3.25914 -4.8114 -6.98359 -10.1291 -14.884 -22.4992 -35.6916 -61.3733 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.20351141281692e-20 1.251634806070506e-19 1.5012090647019538e-19 1.7030016095776197e-19 1.8715826350071e-19 2.01531390084324e-19 2.1413571366400199e-19 2.25134656256412e-19 2.3477495306319e-19 2.4332416758221396e-19 2.5086881735172e-19 2.57506635146382e-19 2.63328945034338e-19 2.68411049317386e-19 2.72815432884252e-19 2.7659977409376e-19 2.79834568717806e-19 2.82550258112436e-19 2.84764466220624e-19 2.8650923657505e-19 2.87811806178492e-19 2.8871863815333597e-19 2.8927619562196796e-19 2.8945724158161e-19 2.8926177603226198e-19 2.88627314085198e-19 2.87475349085352e-19 2.8570814825805e-19 2.83211957062278e-19 2.79848988307512e-19 2.75515100512542e-19 2.69977978065438e-19 2.62968455291688e-19 2.54180516454198e-19 2.43284113166364e-19 2.29761742375404e-19 2.13012587843568e-19 1.92267604786536e-19 1.6656388504727399e-19 1.346134388297094e-19 9.477083073072419e-20 4.4769141030871796e-20 -1.8577398288893397e-20 -9.9237218533326e-20 -2.0334825838728e-19 -3.3987133154705393e-19 -5.221717954934759e-19 -7.7087126568276e-19 -1.118894471943606e-18 -1.6228607343449397e-18 -2.3846797020456e-18 -3.604769252369279e-18 -5.7184247550074396e-18 -9.833086721147219e-18 ] } }