{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.746607 0.651604 0.828869 ] [ 0.400786 0.335785 0.469057 ] [ 0.063924 0.336509 0.266481 ] [ 0.66791 0.063189 0.817694 ] [ 0.204678 0.121831 0.834344 ] [ 0.810887 0.847056 0.383585 ] [ 0.282308 0.028758 0.472765 ] [ 0.594686 0.15599 0.177568 ] [ 0.473996 0.846513 0.179907 ] [ 0.129644 0.533361 0.820189 ] [ 0.033811 0.642282 0.206193 ] [ 0.505253 0.372117 0.764661 ] [ 0.954747 0.336761 0.993782 ] [ 0.92001 0.851404 0.656393 ] [ 0.833512 0.538511 0.450296 ] [ 0.357968 0.815417 0.88256 ] [ 0.003302 0.179497 0.440162 ] [ 0.722277 0.930921 0.005856 ] [ 0.153885 0.682596 0.638467 ] [ 0.469907 0.59721 0.01137 ] [ 0.760084 0.290314 0.438417 ] [ 0.820657 0.788566 0.09733 ] [ 0.40254 0.586653 0.638147 ] [ 0.336868 0.296044 0.097864 ] [ 0.56695 0.294502 0.975619 ] [ 0.636823 0.195732 0.60942 ] [ 0.054284 0.393699 0.552615 ] [ 0.147985 0.774463 0.481622 ] [ 0.726659 0.410638 0.168158 ] [ 0.637473 0.606904 0.198799 ] [ 0.53795 0.888247 0.553252 ] [ 0.152265 0.25067 0.642991 ] [ 0.088484 0.782282 0.011387 ] [ 0.306711 0.890394 0.674194 ] [ 0.552547 0.794233 0.70684 ] [ 0.719081 0.502119 0.010777 ] [ 0.235441 0.577697 0.450904 ] [ 0.238278 0.988381 0.042919 ] [ 0.982648 0.095221 0.048448 ] [ 0.49185 0.451489 0.274268 ] [ 0.694675 0.083422 0.427154 ] [ 0.870047 0.002907 0.209272 ] [ 0.300493 0.51139 0.13887 ] [ 0.966345 0.905608 0.902148 ] [ 0.891403 0.087883 0.602679 ] [ 0.787022 0.400929 0.640181 ] [ 0.178844 0.099377 0.224546 ] [ 0.910877 0.277944 0.748661 ] [ 0.383517 0.733038 0.376172 ] [ 0.573779 0.673721 0.512419 ] [ 0.113886 0.892087 0.212865 ] [ 0.319835 0.389735 0.944364 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "K" "K" "K" "K" "K" "K" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.1278812598 "source-unit" "angstrom" } "b" { "source-value" 15.6564996304 "source-unit" "angstrom" } "c" { "source-value" 15.7967166098 "source-unit" "angstrom" } "alpha" { "source-value" 104.773571915 "source-unit" "degree" } "beta" { "source-value" 97.276043457 "source-unit" "degree" } "gamma" { "source-value" 100.031598602 "source-unit" "degree" } }