{ "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" [ [ 0.149684 0.173853 0.667476 ] [ 0.185423 0.162979 0.166533 ] [ 0.322374 0.333219 0.415585 ] [ 0.336134 0.326406 0.917339 ] [ 0.649638 0.67322 0.668649 ] [ 0.686013 0.659793 0.166037 ] [ 0.821326 0.832255 0.417837 ] [ 0.836878 0.823918 0.915905 ] [ 0.675526 0.999449 0.135067 ] [ 0.178237 0.503764 0.133618 ] [ 0.16149 0.841437 0.633685 ] [ 0.337542 0.662619 0.384391 ] [ 0.336447 0.997823 0.882042 ] [ 0.655067 0.34116 0.630889 ] [ 0.837052 0.162792 0.38451 ] [ 0.836275 0.492616 0.88126 ] [ 0.171242 0.829246 0.124556 ] [ 0.160715 0.502213 0.625823 ] [ 0.332231 0.996897 0.377618 ] [ 0.328252 0.66645 0.875149 ] [ 0.672821 0.33241 0.127163 ] [ 0.662679 0.000915 0.625775 ] [ 0.833828 0.497536 0.376554 ] [ 0.826978 0.165803 0.87478 ] [ 0.093447 0.485807 0.346875 ] [ 0.088613 0.172507 0.86202 ] [ 0.177109 0.790752 0.844717 ] [ 0.19414 0.873331 0.415438 ] [ 0.214213 0.134443 0.364372 ] [ 0.21017 0.535514 0.916038 ] [ 0.277062 0.363931 0.613536 ] [ 0.287404 0.964851 0.095047 ] [ 0.300525 0.628622 0.595562 ] [ 0.318591 0.708461 0.165634 ] [ 0.40999 0.320188 0.113652 ] [ 0.406277 0.011959 0.663713 ] [ 0.593773 0.986172 0.348993 ] [ 0.589851 0.674505 0.862381 ] [ 0.67809 0.291738 0.846293 ] [ 0.695194 0.373616 0.417309 ] [ 0.714369 0.633779 0.363374 ] [ 0.708171 0.034372 0.913998 ] [ 0.793201 0.465338 0.096184 ] [ 0.777751 0.863703 0.613255 ] [ 0.801945 0.129293 0.597408 ] [ 0.81862 0.210855 0.167666 ] [ 0.910643 0.815101 0.111116 ] [ 0.906401 0.511788 0.664776 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Fe" "Fe" "Fe" "Fe" "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" 5.24375627 "source-unit" "angstrom" } "b" { "source-value" 9.04216378 "source-unit" "angstrom" } "c" { "source-value" 10.39727226 "source-unit" "angstrom" } "alpha" { "source-value" 89.01236908 "source-unit" "degree" } "beta" { "source-value" 89.2487209 "source-unit" "degree" } "gamma" { "source-value" 89.65831079 "source-unit" "degree" } }