{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.276779 0.985138 0.476596 ] [ 0.10318 0.116103 0.886942 ] [ 0.435058 0.752742 0.273256 ] [ 0.223221 0.485138 0.023404 ] [ 0.776779 0.514862 0.976596 ] [ 0.723221 0.014862 0.523404 ] [ 0.60318 0.383897 0.386942 ] [ 0.39682 0.616103 0.613058 ] [ 0.064942 0.252742 0.226744 ] [ 0.564942 0.247258 0.726744 ] [ 0.935058 0.747258 0.773256 ] [ 0.89682 0.883897 0.113058 ] [ 0.078725 0.625429 0.545864 ] [ 0.578725 0.874571 0.045864 ] [ 0.421275 0.125429 0.954136 ] [ 0.314342 0.347026 0.428762 ] [ 0.543212 0.358907 0.072837 ] [ 0.185658 0.847026 0.071238 ] [ 0.814342 0.152974 0.928762 ] [ 0.921275 0.374571 0.454136 ] [ 0.456788 0.641093 0.927163 ] [ 0.685658 0.652974 0.571238 ] [ 0.956788 0.858907 0.427163 ] [ 0.043212 0.141093 0.572837 ] [ 0.59816 0.903144 0.756097 ] [ 0.09816 0.596856 0.256097 ] [ 0.75027 0.144469 0.244053 ] [ 0.90184 0.403144 0.743903 ] [ 0.25027 0.355531 0.744053 ] [ 0.24973 0.855531 0.755947 ] [ 0.74973 0.644469 0.255947 ] [ 0.40184 0.096856 0.243903 ] [ 0.556516 0.82296 0.561887 ] [ 0.538955 0.575581 0.160054 ] [ 0.635683 0.755448 0.890941 ] [ 0.174041 0.416043 0.537109 ] [ 0.709077 0.824848 0.283559 ] [ 0.806031 0.967859 0.812371 ] [ 0.864317 0.255448 0.609059 ] [ 0.193969 0.032141 0.187629 ] [ 0.306031 0.532141 0.312371 ] [ 0.364317 0.244552 0.109059 ] [ 0.038955 0.924419 0.660054 ] [ 0.209077 0.675152 0.783559 ] [ 0.461045 0.424419 0.839946 ] [ 0.056516 0.67704 0.061887 ] [ 0.443484 0.17704 0.438113 ] [ 0.693969 0.467859 0.687629 ] [ 0.825959 0.583957 0.462891 ] [ 0.290923 0.175152 0.716441 ] [ 0.943484 0.32296 0.938113 ] [ 0.961045 0.075581 0.339946 ] [ 0.325959 0.916043 0.962891 ] [ 0.135683 0.744552 0.390941 ] [ 0.790923 0.324848 0.216441 ] [ 0.674041 0.083957 0.037109 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "As" "As" "As" "As" "As" "As" "As" "As" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.3636105728 "source-unit" "angstrom" } "b" { "source-value" 12.00955487 "source-unit" "angstrom" } "c" { "source-value" 11.7196150667 "source-unit" "angstrom" } "beta" { "source-value" 116.632477237 "source-unit" "degree" } }