{ "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" [ [ 0.090372 0.892021 0.973007 ] [ 0.405115 0.39279 0.029301 ] [ 0.385413 0.794913 0.456581 ] [ 0.590267 0.603422 0.970709 ] [ 0.647803 0.905518 0.950677 ] [ 0.91001 0.109607 0.028024 ] [ 0.842029 0.422662 0.528453 ] [ 0.885589 0.716382 0.452752 ] [ 0.210644 0.08699 0.335257 ] [ 0.247659 0.796778 0.176036 ] [ 0.25234 0.290187 0.82546 ] [ 0.29033 0.574575 0.668299 ] [ 0.704086 0.41011 0.321495 ] [ 0.750348 0.704418 0.176656 ] [ 0.753173 0.211624 0.823722 ] [ 0.789971 0.928204 0.664413 ] [ 0.02308 0.553536 0.249369 ] [ 0.115317 0.28789 0.118444 ] [ 0.061013 0.077652 0.76211 ] [ 0.122545 0.854649 0.574168 ] [ 0.377913 0.355839 0.428406 ] [ 0.436734 0.575305 0.238768 ] [ 0.526574 0.943073 0.245432 ] [ 0.382906 0.789195 0.88105 ] [ 0.613579 0.20632 0.115671 ] [ 0.475613 0.055318 0.746643 ] [ 0.561432 0.423961 0.762502 ] [ 0.621795 0.647587 0.576843 ] [ 0.877931 0.142626 0.426061 ] [ 0.936544 0.926003 0.238121 ] [ 0.884833 0.712742 0.88392 ] [ 0.975987 0.447261 0.753842 ] [ 0.016274 0.578708 0.382941 ] [ 0.032409 0.148782 0.433307 ] [ 0.08842 0.915944 0.264089 ] [ 0.103811 0.413329 0.21393 ] [ 0.1077 0.660018 0.162162 ] [ 0.182019 0.175341 0.184397 ] [ 0.221083 0.335886 0.999921 ] [ 0.025896 0.739446 0.909314 ] [ 0.124523 0.941851 0.695263 ] [ 0.059383 0.059312 0.896342 ] [ 0.128764 0.463754 0.779051 ] [ 0.188775 0.717732 0.597889 ] [ 0.156306 0.196786 0.710853 ] [ 0.21412 0.925491 0.46504 ] [ 0.293574 0.435436 0.534533 ] [ 0.345812 0.697659 0.294444 ] [ 0.32066 0.216831 0.404183 ] [ 0.372579 0.960073 0.220423 ] [ 0.369259 0.441338 0.303266 ] [ 0.436022 0.564597 0.104314 ] [ 0.473371 0.237088 0.088715 ] [ 0.276455 0.835526 0.999457 ] [ 0.32672 0.670712 0.817007 ] [ 0.39415 0.912047 0.78435 ] [ 0.411058 0.411426 0.734654 ] [ 0.394483 0.156963 0.841813 ] [ 0.469581 0.659664 0.561701 ] [ 0.534264 0.900435 0.372254 ] [ 0.47838 0.082496 0.616031 ] [ 0.535422 0.350103 0.42942 ] [ 0.614332 0.849616 0.144028 ] [ 0.590583 0.585298 0.264509 ] [ 0.601227 0.088615 0.218863 ] [ 0.684596 0.321627 0.173126 ] [ 0.717354 0.147279 0.998645 ] [ 0.52511 0.767333 0.912303 ] [ 0.563054 0.43195 0.897085 ] [ 0.620389 0.566342 0.703725 ] [ 0.62805 0.034998 0.783016 ] [ 0.688839 0.784613 0.595562 ] [ 0.666142 0.312878 0.703366 ] [ 0.719225 0.566155 0.476891 ] [ 0.790051 0.065424 0.532856 ] [ 0.844576 0.804243 0.2955 ] [ 0.820939 0.286352 0.405251 ] [ 0.869435 0.539287 0.220022 ] [ 0.931402 0.936074 0.104384 ] [ 0.86759 0.061164 0.302219 ] [ 0.973768 0.260099 0.093128 ] [ 0.776183 0.664945 0.001762 ] [ 0.813305 0.830827 0.8251 ] [ 0.893142 0.343198 0.846245 ] [ 0.893089 0.590252 0.787945 ] [ 0.908179 0.089164 0.734943 ] [ 0.967008 0.840136 0.566125 ] [ 0.970807 0.421065 0.623738 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.73130021 "source-unit" "angstrom" } "b" { "source-value" 9.80888926 "source-unit" "angstrom" } "c" { "source-value" 11.14129058 "source-unit" "angstrom" } "alpha" { "source-value" 89.63173738 "source-unit" "degree" } "beta" { "source-value" 78.4905884 "source-unit" "degree" } "gamma" { "source-value" 89.66672252 "source-unit" "degree" } }