{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.27647 3.989931 3.812345 3.68332 3.581921 3.498381 3.427339 3.36554 3.310851 3.261805 3.217346 3.176687 3.139231 3.10451 3.07215 3.041852 3.013368 2.986493 2.961056 2.936909 2.913929 2.892008 2.871052 2.85098 2.837316 2.822934 2.807757 2.79169 2.774622 2.756422 2.736927 2.715939 2.69321 2.668426 2.641178 2.610919 2.576903 2.538061 2.492795 2.43855 2.370859 2.28078 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.27647e-10 3.989931e-10 3.812345e-10 3.6833200000000003e-10 3.5819210000000003e-10 3.498381e-10 3.427339e-10 3.36554e-10 3.3108510000000003e-10 3.261805e-10 3.217346e-10 3.176687e-10 3.1392310000000004e-10 3.10451e-10 3.07215e-10 3.0418520000000003e-10 3.013368e-10 2.986493e-10 2.961056e-10 2.936909e-10 2.913929e-10 2.8920080000000004e-10 2.871052e-10 2.85098e-10 2.837316e-10 2.822934e-10 2.807757e-10 2.79169e-10 2.774622e-10 2.756422e-10 2.736927e-10 2.7159390000000004e-10 2.69321e-10 2.6684260000000003e-10 2.6411780000000004e-10 2.610919e-10 2.576903e-10 2.538061e-10 2.4927950000000004e-10 2.4385500000000003e-10 2.370859e-10 2.28078e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.07698 1.44499 1.83691 2.06645 2.25962 2.42572 2.57044 2.69758 2.80982 2.90917 2.99716 3.07501 3.14369 3.20401 3.25665 3.30219 3.34112 3.37386 3.40079 3.42223 3.43849 3.44983 3.45648 3.45865 3.4576 3.45412 3.44767 3.43752 3.42275 3.40218 3.37421 3.33671 3.28674 3.22019 3.13109 3.01057 2.84484 2.61141 2.27124 1.75048 0.892024 -0.704095 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7255121770691842e-19 2.315129195289792e-19 2.9430542565137285e-19 3.3108178780521606e-19 3.620310335892096e-19 3.886431872606976e-19 4.1182988731691523e-19 4.321999608737664e-19 4.501827912656256e-19 4.661004159932736e-19 4.801979680796928e-19 4.926709130726208e-19 5.036746621042752e-19 5.133389914809408e-19 5.21772849212832e-19 5.290691615439552e-19 5.353064351287297e-19 5.405519613852288e-19 5.448666230250433e-19 5.4830168970003845e-19 5.509068288854592e-19 5.527236971734465e-19 5.537891446262785e-19 5.541368169529921e-19 5.53968588407808e-19 5.534110309437697e-19 5.523776270233537e-19 5.507514177532416e-19 5.483850028843201e-19 5.450893255753345e-19 5.406080375669568e-19 5.345998752389569e-19 5.2659379866481925e-19 5.159313132533952e-19 5.016559195620673e-19 4.823464869281856e-19 4.557936137916673e-19 4.183940049323328e-19 3.6389276282257923e-19 2.804578131177984e-19 1.4291799979924992e-19 -1.128084547822176e-19 ] } }