{ "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" [ [ 0.554266 0.980344 0.463649 ] [ 0.301791 0.37495 0.247413 ] [ 0.145463 0.669803 0.180091 ] [ 0.194086 0.89301 0.934347 ] [ 0.83503 0.335015 0.82733 ] [ 0.694859 0.625627 0.751244 ] [ 0.40329 0.441095 0.775083 ] [ 0.285604 0.68277 0.546059 ] [ 0.173939 0.650995 0.979636 ] [ 0.56268 0.049009 0.659504 ] [ 0.038873 0.712529 0.426093 ] [ 0.378101 0.207502 0.151631 ] [ 0.996162 0.918141 0.198228 ] [ 0.00299 0.084621 0.804966 ] [ 0.616393 0.794054 0.849267 ] [ 0.956263 0.289672 0.576763 ] [ 0.434739 0.952685 0.342427 ] [ 0.822662 0.355878 0.021609 ] [ 0.711606 0.317585 0.455087 ] [ 0.589684 0.56013 0.226933 ] [ 0.887386 0.041823 0.352888 ] [ 0.358314 0.322072 0.981972 ] [ 0.460654 0.140049 0.835904 ] [ 0.141333 0.755062 0.806553 ] [ 0.422551 0.368551 0.606109 ] [ 0.579103 0.632367 0.39512 ] [ 0.855027 0.245822 0.192441 ] [ 0.535622 0.863 0.165766 ] [ 0.645239 0.682401 0.018959 ] [ 0.111386 0.962935 0.647215 ] [ 0.691227 0.296794 0.979069 ] [ 0.769102 0.158643 0.829475 ] [ 0.935425 0.053681 0.164046 ] [ 0.773803 0.178443 0.431467 ] [ 0.31826 0.513923 0.96103 ] [ 0.506988 0.348585 0.502078 ] [ 0.523515 0.082048 0.734957 ] [ 0.381346 0.345677 0.836463 ] [ 0.419069 0.16408 0.933314 ] [ 0.106842 0.733675 0.913244 ] [ 0.157638 0.818981 0.713899 ] [ 0.505591 0.172122 0.61156 ] [ 0.314467 0.571995 0.601202 ] [ 0.210878 0.566843 0.788031 ] [ 0.35942 0.383817 0.710883 ] [ 0.531096 0.256392 0.19062 ] [ 0.254351 0.655494 0.386205 ] [ 0.367948 0.538452 0.227667 ] [ 0.569663 0.039264 0.365175 ] [ 0.085855 0.674321 0.504959 ] [ 0.449111 0.062681 0.140456 ] [ 0.344362 0.28126 0.080945 ] [ 0.975387 0.910188 0.27577 ] [ 0.942407 0.861841 0.420369 ] [ 0.023546 0.361332 0.977469 ] [ 0.133214 0.171623 0.828632 ] [ 0.797092 0.970424 0.640381 ] [ 0.114839 0.360364 0.592954 ] [ 0.819508 0.759044 0.800809 ] [ 0.170374 0.2551 0.198177 ] [ 0.882817 0.637996 0.411287 ] [ 0.200297 0.032862 0.359501 ] [ 0.862553 0.833002 0.17386 ] [ 0.978758 0.646416 0.026364 ] [ 0.041894 0.14109 0.584729 ] [ 0.023533 0.086459 0.728302 ] [ 0.662006 0.716924 0.918678 ] [ 0.520469 0.937369 0.865661 ] [ 0.911059 0.325126 0.497733 ] [ 0.424563 0.96405 0.64047 ] [ 0.62332 0.46606 0.773255 ] [ 0.740044 0.349304 0.617397 ] [ 0.466769 0.740698 0.811152 ] [ 0.61972 0.620072 0.293517 ] [ 0.779112 0.434267 0.217345 ] [ 0.692602 0.424591 0.3988 ] [ 0.490235 0.836301 0.395035 ] [ 0.838016 0.184281 0.287185 ] [ 0.879705 0.280684 0.089194 ] [ 0.576152 0.839091 0.068242 ] [ 0.621947 0.656585 0.167831 ] [ 0.484746 0.915246 0.268832 ] [ 0.486619 0.654666 0.496939 ] [ 0.677404 0.495653 0.04057 ] [ 0.222775 0.819445 0.571457 ] [ 0.072228 0.948532 0.84223 ] [ 0.230636 0.839519 0.174863 ] [ 0.304905 0.724654 0.014458 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "W" "W" "W" "W" "W" "W" "W" "W" "W" "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" "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" 6.55311819 "source-unit" "angstrom" } "b" { "source-value" 10.78652127 "source-unit" "angstrom" } "c" { "source-value" 19.75883125 "source-unit" "angstrom" } "alpha" { "source-value" 86.2184817 "source-unit" "degree" } "beta" { "source-value" 85.33183215 "source-unit" "degree" } "gamma" { "source-value" 72.3994179 "source-unit" "degree" } }