{ "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" [ [ 0.444467 0.002552 0.605243 ] [ 0.004051 0.394596 0.570849 ] [ 0.979376 0.604311 0.574273 ] [ 0.188912 0.801209 0.785192 ] [ 0.998459 0.188857 0.366805 ] [ 0.203641 0.001408 0.37729 ] [ 0.003609 0.811298 0.370455 ] [ 0.78883 0.997115 0.611279 ] [ 0.994437 0.184224 0.614621 ] [ 0.197677 0.000972 0.619735 ] [ 0.994614 0.816074 0.617727 ] [ 0.634816 0.002045 0.825961 ] [ 0.995853 0.370533 0.818447 ] [ 0.000396 0.628082 0.818456 ] [ 0.357681 0.997611 0.839914 ] [ 0.635306 0.184174 0.001004 ] [ 0.812733 0.371653 0.999113 ] [ 0.186599 0.37149 0.006883 ] [ 0.634402 0.816129 0.999437 ] [ 0.187927 0.627121 0.006302 ] [ 0.368685 0.814025 0.00522 ] [ 0.637361 0.001345 0.172135 ] [ 0.001471 0.372411 0.1785 ] [ 0.002329 0.6261 0.178055 ] [ 0.377218 0.001249 0.178673 ] [ 0.813237 0.00177 0.363872 ] [ 0.368743 0.185433 0.004877 ] [ 0.813125 0.626031 0.996801 ] [ 0.192469 0.815444 0.204176 ] [ 0.190995 0.188944 0.20815 ] [ 0.812478 0.802091 0.200058 ] [ 0.167723 0.175533 0.802164 ] [ 0.826921 0.172389 0.799757 ] [ 0.825055 0.827648 0.799422 ] [ 0.993236 0.003872 0.768036 ] [ 0.501152 0.210765 0.995288 ] [ 0.300954 0.299461 0.016422 ] [ 0.219274 0.499346 0.013714 ] [ 0.301519 0.699811 0.020475 ] [ 0.347871 0.113406 0.112505 ] [ 0.889732 0.648624 0.104384 ] [ 0.113188 0.658578 0.110088 ] [ 0.345186 0.890688 0.109528 ] [ 0.660544 0.108661 0.104002 ] [ 0.894055 0.355281 0.101447 ] [ 0.115788 0.341412 0.112777 ] [ 0.665212 0.888925 0.105772 ] [ 0.508289 0.997323 0.201778 ] [ 0.009621 0.500132 0.210008 ] [ 0.310563 0.000748 0.28373 ] [ 0.995693 0.70266 0.278077 ] [ 0.708338 0.996123 0.277947 ] [ 0.998948 0.300378 0.280637 ] [ 0.885397 0.106243 0.338304 ] [ 0.123437 0.117348 0.349868 ] [ 0.883025 0.889309 0.341173 ] [ 0.124534 0.883922 0.347763 ] [ 0.758074 0.000032 0.477859 ] [ 0.990119 0.244255 0.492223 ] [ 0.996589 0.754894 0.494615 ] [ 0.265845 0.998345 0.501831 ] [ 0.878 0.106425 0.644861 ] [ 0.118617 0.117306 0.642794 ] [ 0.868665 0.880913 0.641718 ] [ 0.105484 0.897712 0.653072 ] [ 0.299236 0.99113 0.717314 ] [ 0.007987 0.711867 0.710938 ] [ 0.680512 0.000342 0.698757 ] [ 0.99659 0.287928 0.709261 ] [ 0.994662 0.499458 0.764552 ] [ 0.495776 0.003856 0.830106 ] [ 0.313099 0.116628 0.909117 ] [ 0.881814 0.66182 0.895008 ] [ 0.121065 0.656529 0.899185 ] [ 0.317374 0.875728 0.904626 ] [ 0.681062 0.119567 0.899695 ] [ 0.876987 0.337381 0.89377 ] [ 0.115474 0.343226 0.901597 ] [ 0.677695 0.88178 0.898847 ] [ 0.701056 0.298705 0.013466 ] [ 0.777253 0.499688 0.993918 ] [ 0.703036 0.702264 0.010724 ] [ 0.501778 0.787744 0.00028 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "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" 12.08672558 "source-unit" "angstrom" } "b" { "source-value" 12.45522895 "source-unit" "angstrom" } "c" { "source-value" 12.79279265 "source-unit" "angstrom" } "alpha" { "source-value" 90.17141941 "source-unit" "degree" } "beta" { "source-value" 91.25661598 "source-unit" "degree" } "gamma" { "source-value" 90.04184415 "source-unit" "degree" } }