{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.24628 0.000836 0.997609 ] [ 0.673551 0.516894 0.829923 ] [ 0.834698 0.167841 0.517585 ] [ 0.326449 0.483106 0.170078 ] [ 0.75372 0.999164 0.002391 ] [ 0.165302 0.832159 0.482415 ] [ 0.761007 0.539666 0.477833 ] [ 0.720927 0.279501 0.160427 ] [ 0.076655 0.325722 0.841785 ] [ 0.24929 0.157373 0.324372 ] [ 0.75071 0.842627 0.675628 ] [ 0.43952 0.155215 0.724078 ] [ 0.279073 0.720499 0.839573 ] [ 0.923345 0.674278 0.158215 ] [ 0.56048 0.844785 0.275922 ] [ 0.238993 0.460334 0.522167 ] [ 0.407271 0.286998 0.540299 ] [ 0.067595 0.165101 0.64941 ] [ 0.759775 0.385692 0.800806 ] [ 0.904557 0.340803 0.562398 ] [ 0.274705 0.51986 0.99577 ] [ 0.699018 0.834417 0.067925 ] [ 0.79378 0.163481 0.936477 ] [ 0.634193 0.933075 0.838021 ] [ 0.240225 0.614308 0.199194 ] [ 0.725295 0.48014 0.00423 ] [ 0.20622 0.836519 0.063523 ] [ 0.766184 0.995683 0.479084 ] [ 0.095443 0.659197 0.437602 ] [ 0.592729 0.713002 0.459701 ] [ 0.365807 0.066925 0.161979 ] [ 0.126907 0.537435 0.706901 ] [ 0.617675 0.558655 0.653643 ] [ 0.07675 0.362704 0.140206 ] [ 0.382325 0.441345 0.346357 ] [ 0.981239 0.223112 0.40052 ] [ 0.233816 0.004317 0.520916 ] [ 0.617004 0.191148 0.385172 ] [ 0.873094 0.462565 0.293099 ] [ 0 0 0 ] [ 0.422699 0.351485 0.155281 ] [ 0.92325 0.637296 0.859794 ] [ 0.859529 0.06467 0.168183 ] [ 0.932405 0.834899 0.35059 ] [ 0.41379 0.39733 0.783466 ] [ 0.300844 0.876217 0.363354 ] [ 0.699156 0.123783 0.636646 ] [ 0.58621 0.60267 0.216534 ] [ 0.382996 0.808852 0.614828 ] [ 0.5 0 0 ] [ 0.577301 0.648515 0.844719 ] [ 0.140471 0.93533 0.831817 ] [ 0.300982 0.165583 0.932075 ] [ 0.018761 0.776888 0.59948 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.32981663902 "source-unit" "angstrom" } "b" { "source-value" 10.8347548891 "source-unit" "angstrom" } "c" { "source-value" 10.8460926535 "source-unit" "angstrom" } "alpha" { "source-value" 83.9842570779 "source-unit" "degree" } "beta" { "source-value" 109.380165803 "source-unit" "degree" } "gamma" { "source-value" 108.86412196 "source-unit" "degree" } }