{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.72039 7.203096 6.882498 6.649566 6.46651 6.315693 6.187441 6.075873 5.977143 5.8886 5.808336 5.734935 5.667315 5.604631 5.546213 5.491515 5.440092 5.391575 5.345651 5.302059 5.260573 5.220998 5.183166 5.14693 5.110297 5.072547 5.033609 4.993406 4.951853 4.908856 4.864311 4.818103 4.770103 4.720165 4.668127 4.613805 4.556988 4.497437 4.434875 4.368981 4.29938 4.225631 4.147206 4.063474 3.973662 3.87682 3.77175 3.656926 3.530349 3.389334 3.230161 3.047451 2.833014 2.57347 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.72039e-10 7.203096e-10 6.882498e-10 6.649566e-10 6.46651e-10 6.315693e-10 6.187441e-10 6.075873e-10 5.977143e-10 5.888600000000001e-10 5.808336e-10 5.734935e-10 5.667315e-10 5.604631000000001e-10 5.546213e-10 5.491515e-10 5.440092e-10 5.391575e-10 5.345651e-10 5.302059e-10 5.260573e-10 5.220998e-10 5.183166e-10 5.14693e-10 5.110297e-10 5.072547e-10 5.033609000000001e-10 4.993406e-10 4.951853e-10 4.908856e-10 4.864311e-10 4.818103e-10 4.770103e-10 4.720165e-10 4.668127e-10 4.613805e-10 4.5569879999999997e-10 4.497437e-10 4.434875e-10 4.368981e-10 4.2993800000000005e-10 4.225631e-10 4.147206e-10 4.0634740000000005e-10 3.973662e-10 3.87682e-10 3.77175e-10 3.656926e-10 3.5303490000000003e-10 3.389334e-10 3.230161e-10 3.0474510000000005e-10 2.8330140000000003e-10 2.57347e-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" [ 0.457586 0.856845 1.20604 1.5014 1.74184 1.94336 2.11878 2.27233 2.40682 2.52454 2.6285 2.72279 2.80772 2.88317 2.94783 3.00255 3.04817 3.08543 3.11497 3.13736 3.15311 3.16232 3.16709 3.16869 3.16689 3.16094 3.15006 3.13016 3.09908 3.055 2.99813 2.92677 2.83818 2.72907 2.59552 2.43238 2.23139 1.98511 1.68803 1.3297 0.895804 0.377861 -0.244959 -1.00366 -1.93253 -3.06716 -4.46457 -6.20766 -8.39566 -11.1298 -14.4731 -18.5754 -23.7991 -30.0899 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.331335972455239e-20 1.3728170379597298e-19 1.9322891076693599e-19 2.4055079982876e-19 2.79073534816656e-19 3.11360598345024e-19 3.39465980858652e-19 3.64067403073722e-19 3.85615076624388e-19 4.0447589995983597e-19 4.2113212824689995e-19 4.362390517288859e-19 4.49846337881448e-19 4.619347605849779e-19 4.72294434700422e-19 4.810615452416699e-19 4.88370675045978e-19 4.94340385184262e-19 4.990732149610979e-19 5.02660488444624e-19 5.05183916643174e-19 5.066595213230879e-19 5.07423759577506e-19 5.076801078389459e-19 5.073917160448259e-19 5.064384209475959e-19 5.04695252769804e-19 5.01506921268144e-19 4.965273562896719e-19 4.89464961687e-19 4.80353383169442e-19 4.689202507092179e-19 4.54726567908612e-19 4.37245218655038e-19 4.1584814970796796e-19 3.89710240100892e-19 3.57508091934126e-19 3.18049685791974e-19 2.7045222234910195e-19 2.1304142702298e-19 1.435236237443736e-19 6.05400065099874e-20 -3.92467586088006e-20 -1.60804060048044e-19 -3.09625441050402e-19 -4.9141320847394395e-19 -7.15302973485738e-19 -9.94576780381644e-19 -1.3451330279008438e-18 -1.7831905501093197e-18 -2.3188462641545398e-18 -2.9761071847203594e-18 -3.81303619302294e-18 -4.8209334699396595e-18 ] } }