{ "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" [ [ 0.935728 0.244516 0.25721 ] [ 0.349836 0.239654 0.226011 ] [ 0.064272 0.755484 0.74279 ] [ 0.650164 0.760346 0.773989 ] [ 0.947744 0.514623 0.693235 ] [ 0.74737 0.976983 0.668437 ] [ 0.132884 0.222479 0.083046 ] [ 0.052256 0.485377 0.306765 ] [ 0.25263 0.023017 0.331563 ] [ 0.867116 0.777521 0.916954 ] [ 0.976023 0.038361 0.392383 ] [ 0.229086 0.441102 0.728931 ] [ 0.928288 0.424189 0.409653 ] [ 0.121569 0.213739 0.968327 ] [ 0.329424 0.041722 0.083167 ] [ 0.878431 0.786261 0.031673 ] [ 0.37092 0.296963 0.046719 ] [ 0.933643 0.402442 0.084772 ] [ 0.066357 0.597558 0.915228 ] [ 0.678825 0.553682 0.64772 ] [ 0.307126 0.129135 0.417309 ] [ 0.659107 0.140861 0.607403 ] [ 0.023977 0.961639 0.607617 ] [ 0.995144 0.658123 0.354223 ] [ 0.450728 0.030203 0.713891 ] [ 0.340893 0.859139 0.392597 ] [ 0.770914 0.558898 0.271069 ] [ 0.178709 0.546557 0.203943 ] [ 0.321175 0.446318 0.35228 ] [ 0.071712 0.575811 0.590347 ] [ 0.670576 0.958278 0.916833 ] [ 0.190095 0.917927 0.247479 ] [ 0.821291 0.453443 0.796057 ] [ 0.692874 0.870865 0.582691 ] [ 0.809905 0.082073 0.752521 ] [ 0.62908 0.703037 0.953281 ] [ 0.549272 0.969797 0.286109 ] [ 0.901799 0.14057 0.091647 ] [ 0.004856 0.341877 0.645777 ] [ 0.098201 0.85943 0.908353 ] [ 0.334803 0.187213 0.466224 ] [ 0.393956 0.763142 0.424572 ] [ 0.253291 0.577108 0.146634 ] [ 0.614296 0.608854 0.25311 ] [ 0.716952 0.930721 0.263822 ] [ 0.171812 0.959397 0.569782 ] [ 0.50015 0.662675 0.978692 ] [ 0.842233 0.145853 0.797133 ] [ 0.534051 0.567208 0.618999 ] [ 0.178551 0.497129 0.915383 ] [ 0.563218 0.060313 0.918334 ] [ 0.821449 0.502871 0.084617 ] [ 0.22336 0.908297 0.910303 ] [ 0.746709 0.422892 0.853366 ] [ 0.49985 0.337325 0.021308 ] [ 0.77664 0.091703 0.089697 ] [ 0.283048 0.069279 0.736178 ] [ 0.385704 0.391146 0.74689 ] [ 0.117656 0.211481 0.90255 ] [ 0.040832 0.242831 0.617954 ] [ 0.828188 0.040603 0.430218 ] [ 0.665197 0.812787 0.533776 ] [ 0.606044 0.236858 0.575428 ] [ 0.465949 0.432792 0.381001 ] [ 0.882344 0.788519 0.09745 ] [ 0.436782 0.939687 0.081666 ] [ 0.141159 0.605005 0.53155 ] [ 0.858841 0.394995 0.46845 ] [ 0.157767 0.854147 0.202867 ] [ 0.959168 0.757169 0.382046 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "W" "W" "W" "W" "W" "W" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "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" 7.08458867 "source-unit" "angstrom" } "b" { "source-value" 11.0292067 "source-unit" "angstrom" } "c" { "source-value" 17.56259847 "source-unit" "angstrom" } "alpha" { "source-value" 87.50489921 "source-unit" "degree" } "beta" { "source-value" 83.00821762 "source-unit" "degree" } "gamma" { "source-value" 73.2845235 "source-unit" "degree" } }