{ "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" [ "Au" "Au" ] } "a" { "source-value" [ 4.96089 4.628492 4.422485 4.27281 4.155184 4.058273 3.975862 3.904171 3.840731 3.783835 3.73226 3.685095 3.641644 3.601366 3.563827 3.52868 3.495637 3.464461 3.434953 3.406941 3.380283 3.354854 3.330544 3.30726 3.291409 3.274726 3.25712 3.238482 3.218683 3.19757 3.174955 3.150608 3.124242 3.095492 3.063883 3.028782 2.989322 2.944264 2.891754 2.828828 2.750304 2.64581 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.96089e-10 4.6284919999999996e-10 4.4224850000000004e-10 4.27281e-10 4.1551840000000004e-10 4.058273e-10 3.975862e-10 3.904171e-10 3.840731e-10 3.783835e-10 3.7322600000000003e-10 3.685095e-10 3.641644e-10 3.601366e-10 3.563827e-10 3.5286800000000003e-10 3.495637e-10 3.4644610000000003e-10 3.434953e-10 3.4069410000000005e-10 3.380283e-10 3.3548540000000003e-10 3.330544e-10 3.30726e-10 3.291409e-10 3.274726e-10 3.25712e-10 3.238482e-10 3.218683e-10 3.19757e-10 3.1749550000000005e-10 3.1506080000000004e-10 3.1242420000000004e-10 3.0954920000000004e-10 3.0638830000000004e-10 3.0287820000000004e-10 2.989322e-10 2.9442640000000003e-10 2.891754e-10 2.828828e-10 2.750304e-10 2.64581e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.32552 1.69965 1.99781 2.18189 2.45962 2.7549 2.904 3.00002 3.08294 3.16029 3.23631 3.30149 3.35982 3.42091 3.48781 3.55432 3.61097 3.6567 3.69562 3.72981 3.75671 3.77466 3.78407 3.78691 3.78565 3.7816 3.77427 3.76266 3.74514 3.71902 3.68053 3.62481 3.54552 3.43377 3.27641 3.04796 2.6988 1.98224 0.190408 -2.43104 -6.60691 -16.3392 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1237171544028162e-19 2.72313949354272e-19 3.200844474800448e-19 3.495773147157312e-19 3.940745660052096e-19 4.41383637264192e-19 4.6527209068032e-19 4.806561905932417e-19 4.939414391329152e-19 5.063342752948032e-19 5.185140219661248e-19 5.289570091804992e-19 5.383025054096256e-19 5.480902023860929e-19 5.588087639792449e-19 5.694648406841857e-19 5.785411712410176e-19 5.85867924927936e-19 5.921035963360897e-19 5.975814382026049e-19 6.018912933125569e-19 6.047672003468929e-19 6.062748485470656e-19 6.067298667073729e-19 6.06527992453152e-19 6.058791109217281e-19 6.047047154586816e-19 6.028445884019328e-19 6.0003757496229125e-19 5.958526896287616e-19 5.896859118153025e-19 5.807585836842048e-19 5.680549252578816e-19 5.501506015204417e-19 5.249387502155328e-19 4.883370253133568e-19 4.32395426421504e-19 3.1758985848145923e-19 3.050672460132864e-20 -3.894955452229632e-19 -1.0585436737729728e-18 -2.6178284242575364e-18 ] } }