{ "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" [ [ 0.505335 0.662136 0.315539 ] [ 0.626882 0.785577 0.923653 ] [ 0.284243 0.397856 0.060906 ] [ 0.353675 0.567659 0.669678 ] [ 0.658723 0.601505 0.128764 ] [ 0.761219 0.736412 0.745733 ] [ 0.236621 0.255156 0.245368 ] [ 0.105029 0.159962 0.627596 ] [ 0.886661 0.867573 0.380014 ] [ 0.472556 0.519121 0.494267 ] [ 0.024843 0.974081 0.997504 ] [ 0.374027 0.391949 0.876379 ] [ 0.034399 0.406514 0.155939 ] [ 0.043466 0.447921 0.688804 ] [ 0.260672 0.666391 0.40888 ] [ 0.305525 0.68394 0.937795 ] [ 0.244585 0.792407 0.089753 ] [ 0.200355 0.812748 0.572718 ] [ 0.696723 0.292704 0.062634 ] [ 0.550184 0.942705 0.179042 ] [ 0.508375 0.531775 0.776342 ] [ 0.693269 0.359997 0.594406 ] [ 0.068449 0.006468 0.282311 ] [ 0.794716 0.75543 0.023717 ] [ 0.507331 0.923853 0.663801 ] [ 0.695005 0.730292 0.467182 ] [ 0.92205 0.555976 0.312961 ] [ 0.958663 0.58298 0.84869 ] [ 0.274036 0.289236 0.53486 ] [ 0.496735 0.060155 0.331038 ] [ 0.252054 0.200519 0.974397 ] [ 0.985 0.952902 0.715864 ] [ 0.47223 0.470801 0.225768 ] [ 0.474147 0.039461 0.825268 ] [ 0.786244 0.204859 0.432192 ] [ 0.776841 0.16231 0.91045 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.24771739 "source-unit" "angstrom" } "b" { "source-value" 5.5193862 "source-unit" "angstrom" } "c" { "source-value" 17.28994399 "source-unit" "angstrom" } "alpha" { "source-value" 84.51449378 "source-unit" "degree" } "beta" { "source-value" 82.37694296 "source-unit" "degree" } "gamma" { "source-value" 61.91889283 "source-unit" "degree" } }