{ "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" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" ] } "a" { "source-value" [ 11.2178 10.466171 10.000342 9.661892 9.395911 9.176773 8.990423 8.828315 8.68486 8.556207 8.439584 8.332932 8.23468 8.143601 8.058718 7.979242 7.904525 7.834029 7.767302 7.703963 7.643683 7.58618 7.531211 7.47856 7.442716 7.404992 7.36518 7.323034 7.278264 7.230522 7.179383 7.124329 7.06471 6.999698 6.928221 6.848849 6.75962 6.657733 6.538993 6.3967 6.219138 5.98285 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.12178e-09 1.0466171e-09 1.0000342e-09 9.661892000000001e-10 9.395911e-10 9.176773000000002e-10 8.990423e-10 8.828315e-10 8.68486e-10 8.556207000000001e-10 8.439584000000001e-10 8.332932e-10 8.234680000000001e-10 8.143601000000001e-10 8.058718000000001e-10 7.979242000000001e-10 7.904525e-10 7.834029e-10 7.767302e-10 7.703963e-10 7.643683000000001e-10 7.58618e-10 7.531211e-10 7.47856e-10 7.442716e-10 7.404992e-10 7.365179999999999e-10 7.323034e-10 7.278264e-10 7.230522e-10 7.179383e-10 7.124329000000001e-10 7.06471e-10 6.999698000000001e-10 6.928221e-10 6.848849e-10 6.75962e-10 6.657733000000001e-10 6.538993e-10 6.3967e-10 6.219138e-10 5.982850000000001e-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" [ 0.368999 0.439379 0.486518 0.521882 0.550202 0.573482 0.592881 0.609282 0.623262 0.635253 0.645659 0.65469 0.662471 0.669129 0.67487 0.679746 0.683903 0.687327 0.69008 0.692282 0.693916 0.695081 0.695759 0.695979 0.695873 0.695565 0.694975 0.694035 0.692737 0.690908 0.688413 0.685145 0.680923 0.675383 0.66802 0.658104 0.644607 0.625857 0.599203 0.559193 0.495167 0.380433 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.912015708985792e-20 7.039627614704833e-20 7.794877651983745e-20 8.361471392163456e-20 8.815207811174016e-20 9.188194528496257e-20 9.499000771165249e-20 9.761773758742657e-20 9.985758050330496e-20 1.0177875048930623e-19 1.0344597548091073e-19 1.048929011871552e-19 1.0613955481579969e-19 1.0720628400992833e-19 1.081260936079296e-19 1.0890731492823168e-19 1.0957333974949825e-19 1.1012192502446017e-19 1.105630042481664e-19 1.1091580354006657e-19 1.1117759919990528e-19 1.1136425277622849e-19 1.1147288035111873e-19 1.1150812823677634e-19 1.1149114516459583e-19 1.114417981246752e-19 1.11347269704048e-19 1.111966651016928e-19 1.1098870257631296e-19 1.1069566447236864e-19 1.1029592140547905e-19 1.0977233008580162e-19 1.0909589111649984e-19 1.0820828526857664e-19 1.070286026226816e-19 1.0543988428549633e-19 1.0327742650040257e-19 1.0027334533640256e-19 9.600290377132225e-20 8.959259511150145e-20 7.933449907916736e-20 6.095208583808065e-20 ] } }