{ "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" [ [ 0.445021 0.609885 0.009207 ] [ 0.001444 0.491157 0.006054 ] [ 0.807868 0.303736 0.100622 ] [ 0.10607 0.089077 0.202016 ] [ 0.399121 0.898512 0.30053 ] [ 0.706048 0.688999 0.406246 ] [ 0.990176 0.011474 0.499461 ] [ 0.003365 0.496876 0.498151 ] [ 0.106914 0.629748 0.67731 ] [ 0.273225 0.359587 0.594205 ] [ 0.602799 0.592277 0.695563 ] [ 0.606264 0.107671 0.696662 ] [ 0.8051 0.290347 0.595173 ] [ 0.705677 0.218626 0.892249 ] [ 0.87482 0.962152 0.798632 ] [ 0.190402 0.208214 0.907332 ] [ 0.204969 0.697019 0.902061 ] [ 0.484313 0.93501 0.571743 ] [ 0.083874 0.512623 0.782235 ] [ 0.683787 0.117153 0.984475 ] [ 0.805049 0.791503 0.105785 ] [ 0.284872 0.308585 0.103777 ] [ 0.602115 0.097538 0.201235 ] [ 0.897996 0.901852 0.299299 ] [ 0.204144 0.689046 0.399265 ] [ 0.399648 0.399206 0.299846 ] [ 0.488553 0.504429 0.493799 ] [ 0.097897 0.097035 0.699446 ] [ 0.41476 0.88478 0.804047 ] [ 0.682924 0.709595 0.895887 ] [ 0.672682 0.651174 0.053037 ] [ 0.954915 0.45122 0.149786 ] [ 0.142334 0.64795 0.055073 ] [ 0.150977 0.174619 0.055192 ] [ 0.457286 0.417451 0.15003 ] [ 0.272932 0.242938 0.24871 ] [ 0.454548 0.957102 0.150401 ] [ 0.560266 0.056464 0.343587 ] [ 0.747559 0.243784 0.250548 ] [ 0.645306 0.147103 0.059236 ] [ 0.930633 0.955053 0.152732 ] [ 0.741932 0.779544 0.250743 ] [ 0.060305 0.013805 0.347796 ] [ 0.880694 0.827797 0.444832 ] [ 0.054479 0.555434 0.34633 ] [ 0.238901 0.747371 0.253678 ] [ 0.165548 0.655794 0.542041 ] [ 0.355029 0.83489 0.446294 ] [ 0.527346 0.553762 0.349474 ] [ 0.342654 0.366375 0.447887 ] [ 0.661205 0.615145 0.545811 ] [ 0.450886 0.440564 0.651111 ] [ 0.632326 0.164185 0.5494 ] [ 0.825881 0.356979 0.453391 ] [ 0.957186 0.439765 0.653272 ] [ 0.770383 0.24939 0.745103 ] [ 0.14099 0.168814 0.551918 ] [ 0.938316 0.974473 0.651798 ] [ 0.273981 0.203303 0.749832 ] [ 0.068606 0.03835 0.849168 ] [ 0.366437 0.847076 0.944463 ] [ 0.238946 0.749958 0.751857 ] [ 0.553724 0.048 0.849767 ] [ 0.435375 0.948433 0.655679 ] [ 0.544134 0.559039 0.849628 ] [ 0.747548 0.757606 0.754428 ] [ 0.861751 0.82621 0.945256 ] [ 0.840818 0.350029 0.948204 ] [ 0.033486 0.555754 0.856877 ] [ 0.367478 0.348583 0.94832 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.27066673 "source-unit" "angstrom" } "b" { "source-value" 7.39344735 "source-unit" "angstrom" } "c" { "source-value" 30.23603947 "source-unit" "angstrom" } "alpha" { "source-value" 83.03272453 "source-unit" "degree" } "beta" { "source-value" 84.27780121 "source-unit" "degree" } "gamma" { "source-value" 60.61044132 "source-unit" "degree" } }