{ "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" [ [ 0.746261 0.153473 0.354162 ] [ 0.298075 0.846732 0.648345 ] [ 0.637898 0.299492 0.849569 ] [ 0.848691 0.640761 0.303818 ] [ 0.021131 0.002804 0.001531 ] [ 0.346928 0.351878 0.34926 ] [ 0.487038 0.505224 0.500018 ] [ 0.152485 0.154022 0.151178 ] [ 0.655519 0.657807 0.660665 ] [ 0.055715 0.74314 0.441668 ] [ 0.44188 0.05417 0.748544 ] [ 0.747248 0.438067 0.053305 ] [ 0.247095 0.554195 0.945977 ] [ 0.562985 0.949746 0.250424 ] [ 0.932473 0.244154 0.547614 ] [ 0.853314 0.846619 0.852583 ] [ 0.464235 0.907397 0.681816 ] [ 0.676795 0.463363 0.909554 ] [ 0.911833 0.666999 0.473277 ] [ 0.055243 0.909006 0.264804 ] [ 0.000393 0.803561 0.608845 ] [ 0.24512 0.600728 0.431152 ] [ 0.255715 0.079903 0.898783 ] [ 0.457081 0.234523 0.588912 ] [ 0.167038 0.414114 0.986875 ] [ 0.605725 0.430965 0.24535 ] [ 0.103961 0.758077 0.904809 ] [ 0.404658 0.009576 0.187922 ] [ 0.599612 0.989706 0.823466 ] [ 0.898046 0.251218 0.075796 ] [ 0.403649 0.568584 0.755889 ] [ 0.815698 0.601392 0.992144 ] [ 0.572777 0.759183 0.404629 ] [ 0.758123 0.903655 0.096416 ] [ 0.750322 0.404426 0.574335 ] [ 0.941089 0.177459 0.4099 ] [ 0.905254 0.09426 0.7495 ] [ 0.102545 0.28418 0.50216 ] [ 0.303732 0.527928 0.098155 ] [ 0.566622 0.094515 0.299851 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "P" "P" "W" "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" 8.72833637 "source-unit" "angstrom" } "b" { "source-value" 8.74463364 "source-unit" "angstrom" } "c" { "source-value" 8.75535153 "source-unit" "angstrom" } "alpha" { "source-value" 62.25192654 "source-unit" "degree" } "beta" { "source-value" 62.43713391 "source-unit" "degree" } "gamma" { "source-value" 62.77152449 "source-unit" "degree" } }