{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 6.48975 6.054913 5.785418 5.589616 5.435739 5.308962 5.201153 5.107369 5.024377 4.949947 4.882478 4.820777 4.763935 4.711244 4.662137 4.616158 4.572932 4.532148 4.493545 4.456902 4.422028 4.388761 4.35696 4.3265 4.305764 4.28394 4.260907 4.236525 4.210625 4.183005 4.15342 4.12157 4.087079 4.049468 4.008117 3.962199 3.910578 3.851634 3.782941 3.700621 3.597898 3.4612 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.48975e-10 6.054913e-10 5.785418e-10 5.589616000000001e-10 5.435739e-10 5.308962e-10 5.201153e-10 5.107369000000001e-10 5.024377000000001e-10 4.949947e-10 4.882478e-10 4.820776999999999e-10 4.763935e-10 4.711244e-10 4.662137e-10 4.6161580000000006e-10 4.572932e-10 4.5321480000000006e-10 4.4935450000000004e-10 4.4569020000000005e-10 4.4220280000000005e-10 4.388761e-10 4.35696e-10 4.3265000000000005e-10 4.305764e-10 4.2839400000000004e-10 4.260907e-10 4.2365250000000005e-10 4.2106250000000006e-10 4.183005e-10 4.15342e-10 4.1215700000000003e-10 4.0870790000000003e-10 4.049468e-10 4.0081170000000006e-10 3.962199e-10 3.910578e-10 3.851634e-10 3.782941e-10 3.700621e-10 3.597898e-10 3.4612e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 9.22007e-52 1.55982e-08 0.000171836 0.00580181 0.0371725 0.117439 0.256687 0.451036 0.688023 0.951696 1.22587 1.49594 1.74963 1.97718 2.17121 2.32641 2.43925 2.50758 2.53043 2.51908 2.48134 2.41059 2.29859 2.13492 1.90635 1.59585 1.18124 0.633214 -0.0876772 -1.0356 -2.28687 -3.95249 -6.20017 -9.2966 -13.6955 -20.245 -30.8606 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 1.4772180596139458e-70 2.499107136656256e-27 2.753116218117888e-23 9.295524340323648e-22 5.9556910436688e-21 1.881580201701312e-20 4.1125791026328965e-20 7.226393343391488e-20 1.1023343651726786e-19 1.5247850813088768e-19 1.964060254140096e-19 2.3967600941195525e-19 2.8032162810503043e-19 3.167791571113344e-19 3.478661900847168e-19 3.727319712395328e-19 3.9081093222864e-19 4.017586050785664e-19 4.054195786570944e-19 4.0360110819248645e-19 3.975544936255872e-19 3.862190940334272e-19 3.682747158804672e-19 3.4205189112783364e-19 3.05430940106208e-19 2.55683356030368e-19 1.892555111553792e-19 1.0145206667632514e-19 -1.4047436001720575e-20 -1.65921410850048e-19 -3.663969648808896e-19 -6.332587071945792e-19 -9.933767418985536e-19 -1.489479517292928e-18 -2.19426099101664e-18 -3.2436065688096005e-18 -4.944413182386048e-18 ] } }