{ "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" [ 4.81041 4.488095 4.288337 4.143202 4.029143 3.935172 3.855261 3.785745 3.724229 3.669059 3.619048 3.573314 3.531181 3.492124 3.455725 3.421644 3.389603 3.359373 3.330759 3.303598 3.277748 3.25309 3.229518 3.20694 3.19157 3.175393 3.15832 3.140247 3.121049 3.100576 3.078647 3.055039 3.029473 3.001594 2.970944 2.936907 2.898644 2.854953 2.804035 2.743017 2.666875 2.56555 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.81041e-10 4.4880950000000007e-10 4.2883370000000005e-10 4.143202e-10 4.0291430000000003e-10 3.9351720000000004e-10 3.855261e-10 3.785745e-10 3.724229e-10 3.669059e-10 3.619048e-10 3.573314e-10 3.5311810000000003e-10 3.492124e-10 3.4557250000000005e-10 3.4216440000000004e-10 3.3896030000000003e-10 3.3593730000000005e-10 3.3307590000000004e-10 3.303598e-10 3.277748e-10 3.25309e-10 3.229518e-10 3.20694e-10 3.1915700000000004e-10 3.175393e-10 3.15832e-10 3.140247e-10 3.1210490000000005e-10 3.100576e-10 3.078647e-10 3.055039e-10 3.029473e-10 3.001594e-10 2.970944e-10 2.936907e-10 2.8986440000000003e-10 2.854953e-10 2.804035e-10 2.743017e-10 2.666875e-10 2.56555e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.741296 1.3592 1.5962 1.75668 1.9071 2.08762 2.31894 2.61157 2.91585 3.13764 3.28942 3.40039 3.48649 3.55641 3.6152 3.666 3.71068 3.75029 3.78523 3.81544 3.84048 3.85964 3.87196 3.87634 3.87398 3.86573 3.84933 3.82165 3.77852 3.71447 3.62255 3.49413 3.31834 3.08129 2.76559 2.35 1.80884 1.1064 0.176422 -1.13116 -3.2011 -7.29755 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1876871202925568e-19 2.17767846299136e-19 2.5573943221209604e-19 2.8145116262269444e-19 3.05551103352768e-19 3.344735957114496e-19 3.7153514530379524e-19 4.184196397582656e-19 4.67170669975968e-19 5.027053452486912e-19 5.270231819991936e-19 5.448025359602112e-19 5.585972766652992e-19 5.697996955979329e-19 5.792188919516161e-19 5.8735794918528e-19 5.945164743270144e-19 6.008626959220033e-19 6.064607010350784e-19 6.113008766065153e-19 6.153127268649984e-19 6.183824972704512e-19 6.203563788672769e-19 6.210581322271873e-19 6.206800185446785e-19 6.193582228325185e-19 6.167306531744065e-19 6.12295828288032e-19 6.053856405225216e-19 5.951236992662976e-19 5.80396491767904e-19 5.598213396035904e-19 5.3165667678654725e-19 4.9367707999048325e-19 4.430963640718273e-19 3.76511505888e-19 2.898081158767872e-19 1.7726482132531202e-19 2.826592037947776e-20 -1.812318106384128e-19 -5.12872758084288e-19 -1.1691963999119042e-18 ] } }