{ "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" [ [ 0.346606 0.323063 0.666256 ] [ 0.321758 0.346742 0.915378 ] [ 0.348494 0.321418 0.166395 ] [ 0.321494 0.347465 0.416274 ] [ 0.66377 0.650867 0.791719 ] [ 0.651048 0.6624 0.541477 ] [ 0.665347 0.65179 0.29135 ] [ 0.651629 0.662428 0.041014 ] [ 0.99285 0.325965 0.558994 ] [ 0.996348 0.329785 0.058335 ] [ 0.999358 0.678302 0.932694 ] [ 0.999417 0.678754 0.432829 ] [ 0.674359 0.997462 0.18448 ] [ 0.680139 0.998721 0.684268 ] [ 0.335928 0.989045 0.807312 ] [ 0.324774 0.999743 0.308517 ] [ 0.658789 0.003233 0.936233 ] [ 0.658833 0.00348 0.436361 ] [ 0.00004 0.334546 0.810981 ] [ 0.994599 0.330646 0.311905 ] [ 0.000364 0.662197 0.68759 ] [ 0.001576 0.659121 0.188094 ] [ 0.33314 0.993913 0.563178 ] [ 0.334429 0.995683 0.062162 ] [ 0.748206 0.071512 0.791788 ] [ 0.746133 0.067684 0.292653 ] [ 0.930334 0.254391 0.951627 ] [ 0.422528 0.034874 0.915541 ] [ 0.930202 0.254319 0.451923 ] [ 0.421635 0.03349 0.415579 ] [ 0.975639 0.585699 0.824777 ] [ 0.357337 0.268644 0.569939 ] [ 0.973599 0.581547 0.326263 ] [ 0.358992 0.269884 0.069616 ] [ 0.269276 0.350082 0.818373 ] [ 0.26751 0.348388 0.318308 ] [ 0.725505 0.639759 0.694261 ] [ 0.725693 0.629382 0.195133 ] [ 0.629543 0.727829 0.94361 ] [ 0.019014 0.414989 0.668885 ] [ 0.629309 0.728033 0.443903 ] [ 0.032583 0.421578 0.16707 ] [ 0.576295 0.961494 0.578881 ] [ 0.577088 0.962268 0.077775 ] [ 0.069739 0.750946 0.541377 ] [ 0.07006 0.753139 0.040658 ] [ 0.255481 0.931355 0.700963 ] [ 0.252006 0.930742 0.203496 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.2306131 "source-unit" "angstrom" } "b" { "source-value" 5.23663675 "source-unit" "angstrom" } "c" { "source-value" 20.89838415 "source-unit" "angstrom" } "alpha" { "source-value" 91.1968897 "source-unit" "degree" } "beta" { "source-value" 90.59528195 "source-unit" "degree" } "gamma" { "source-value" 119.85859597 "source-unit" "degree" } }