{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14583 7.600029 7.261763 7.015995 6.822851 6.663722 6.528402 6.410686 6.306515 6.213092 6.128405 6.050959 5.979613 5.913475 5.851837 5.794124 5.739868 5.688677 5.640223 5.594228 5.550455 5.508699 5.468783 5.43055 5.391899 5.352068 5.310984 5.268566 5.224723 5.179357 5.132357 5.083603 5.032957 4.980268 4.925363 4.868047 4.8081 4.745267 4.679257 4.609732 4.536296 4.458483 4.375737 4.28739 4.19263 4.09045 3.979591 3.85844 3.724887 3.576102 3.408158 3.215379 2.989127 2.71528 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.14583e-10 7.600029000000001e-10 7.261763e-10 7.015995000000001e-10 6.822851e-10 6.663722e-10 6.528402000000001e-10 6.410686e-10 6.306515000000001e-10 6.213092e-10 6.128405e-10 6.050959e-10 5.979613e-10 5.913475000000001e-10 5.851837e-10 5.794124e-10 5.739868e-10 5.688677e-10 5.640223e-10 5.594228000000001e-10 5.550455000000001e-10 5.508699000000001e-10 5.468783000000001e-10 5.43055e-10 5.391899e-10 5.352068000000001e-10 5.310984000000001e-10 5.268566e-10 5.224723000000001e-10 5.179357e-10 5.132357e-10 5.083603e-10 5.032957e-10 4.980268e-10 4.925363e-10 4.868047e-10 4.8081e-10 4.745267e-10 4.679257e-10 4.6097320000000005e-10 4.5362960000000004e-10 4.4584830000000004e-10 4.375737e-10 4.2873900000000005e-10 4.1926300000000003e-10 4.09045e-10 3.979591e-10 3.85844e-10 3.724887e-10 3.5761020000000003e-10 3.4081579999999997e-10 3.215379e-10 2.989127e-10 2.7152800000000003e-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" [ 0.0406479 0.618619 1.39928 2.05746 2.55913 2.93722 3.22642 3.45313 3.6369 3.79379 3.92976 4.04797 4.15088 4.24035 4.31786 4.38443 4.44084 4.48783 4.5261 4.55627 4.57893 4.59463 4.6038 4.6068 4.60426 4.59684 4.5846 4.56761 4.54608 4.52028 4.49063 4.45765 4.42205 4.38469 4.34069 4.24703 4.07256 3.79672 3.4279 2.99161 2.50191 1.90618 -0.482314 -3.99621 -8.84615 -16.6007 -28.4228 -44.8105 -67.7086 -101.836 -155.739 -235.002 -371.289 -692.378 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.51251156011686e-21 9.91136907148446e-20 2.24189372042352e-19 3.2964143373896394e-19 4.10017828936842e-19 4.70594525291748e-19 5.1692947354702795e-19 5.532524200164419e-19 5.826956200194599e-19 6.07832169230286e-19 6.29616964922784e-19 6.48556294913298e-19 6.650442946537919e-19 6.7937896899819e-19 6.917974400883239e-19 7.02463129940862e-19 7.115010083332559e-19 7.190296363364219e-19 7.251611663147399e-19 7.299949332195179e-19 7.336254654721619e-19 7.36140882787542e-19 7.376100787609199e-19 7.380907317511199e-19 7.376837788860839e-19 7.36494963823656e-19 7.345338996236399e-19 7.31811801522474e-19 7.283623152294719e-19 7.242286995137519e-19 7.19478245793942e-19 7.1419426725501e-19 7.084905184379699e-19 7.02504786533346e-19 6.95455209343746e-19 6.804492229897019e-19 6.52496047256304e-19 6.083016069840479e-19 5.4921012836886e-19 4.79308764004074e-19 4.00850174237094e-19 3.0540370561981198e-19 -7.72752221051076e-20 -6.40263428655714e-19 -1.4173094830859098e-18 -2.65972536480438e-18 -4.5538346032855195e-18 -7.179433605785699e-18 -1.084811368408524e-17 -1.63159259700024e-17 -2.49521386802526e-17 -3.76514713343268e-17 -5.948705602612259e-17 -1.109311853495652e-16 ] } }