{ "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" [ [ 0.049414 0.725335 0.989881 ] [ 0.048832 0.725174 0.490053 ] [ 0.125225 0.315458 0.805752 ] [ 0.125499 0.315233 0.305943 ] [ 0.140532 0.88507 0.837905 ] [ 0.142764 0.884 0.335126 ] [ 0.359327 0.385179 0.587014 ] [ 0.360904 0.391604 0.090034 ] [ 0.374837 0.815416 0.555805 ] [ 0.375361 0.816285 0.056095 ] [ 0.450696 0.225331 0.739955 ] [ 0.451276 0.225494 0.240501 ] [ 0.552818 0.779461 0.762006 ] [ 0.549578 0.774096 0.259193 ] [ 0.624315 0.18379 0.943836 ] [ 0.623833 0.183192 0.443427 ] [ 0.64153 0.610497 0.912204 ] [ 0.639668 0.609847 0.409951 ] [ 0.858942 0.110485 0.661576 ] [ 0.858805 0.110708 0.161173 ] [ 0.875603 0.683374 0.693555 ] [ 0.875352 0.683603 0.193338 ] [ 0.947338 0.279204 0.511806 ] [ 0.947271 0.280379 0.012405 ] [ 0.047765 0.047931 0.637452 ] [ 0.047639 0.048277 0.137367 ] [ 0.068011 0.135208 0.968593 ] [ 0.066932 0.134217 0.467491 ] [ 0.157024 0.692126 0.83 ] [ 0.156154 0.69123 0.329183 ] [ 0.173658 0.928208 0.752212 ] [ 0.174391 0.928153 0.24979 ] [ 0.21953 0.482348 0.640147 ] [ 0.221848 0.487635 0.143341 ] [ 0.281253 0.982795 0.89065 ] [ 0.282921 0.979949 0.388961 ] [ 0.325618 0.428291 0.501414 ] [ 0.326986 0.432205 0.00401 ] [ 0.342592 0.192217 0.579725 ] [ 0.344131 0.198167 0.081561 ] [ 0.432272 0.634588 0.717871 ] [ 0.450424 0.546436 0.387048 ] [ 0.45248 0.547665 0.887874 ] [ 0.550756 0.453734 0.112405 ] [ 0.549633 0.447212 0.609141 ] [ 0.656042 0.804027 0.920552 ] [ 0.654848 0.803235 0.418562 ] [ 0.671925 0.567897 0.997773 ] [ 0.671077 0.568728 0.496065 ] [ 0.719199 0.014403 0.608134 ] [ 0.718439 0.014502 0.108199 ] [ 0.780101 0.513871 0.357386 ] [ 0.78024 0.514703 0.858377 ] [ 0.829088 0.067999 0.747229 ] [ 0.828333 0.067699 0.246974 ] [ 0.844233 0.303965 0.670216 ] [ 0.844061 0.304141 0.170571 ] [ 0.95365 0.947284 0.358642 ] [ 0.950498 0.947662 0.859614 ] [ 0.016526 0.625638 0.542928 ] [ 0.015855 0.625752 0.042496 ] [ 0.040276 0.655996 0.675868 ] [ 0.040421 0.657616 0.176191 ] [ 0.091475 0.238872 0.735928 ] [ 0.09131 0.238551 0.236202 ] [ 0.076998 0.328924 0.559408 ] [ 0.07556 0.330891 0.060342 ] [ 0.102763 0.832907 0.941067 ] [ 0.102624 0.832933 0.441966 ] [ 0.128896 0.171389 0.833861 ] [ 0.128933 0.171121 0.334106 ] [ 0.145073 0.45406 0.773944 ] [ 0.144438 0.454088 0.274419 ] [ 0.156954 0.618135 0.953745 ] [ 0.157024 0.617865 0.454346 ] [ 0.188516 0.387821 0.871573 ] [ 0.188163 0.387598 0.372002 ] [ 0.193546 0.784993 0.537684 ] [ 0.193374 0.785039 0.037149 ] [ 0.306512 0.285053 0.287917 ] [ 0.306611 0.285153 0.787248 ] [ 0.312511 0.887706 0.621748 ] [ 0.31139 0.889774 0.121403 ] [ 0.342164 0.11798 0.704035 ] [ 0.342466 0.118649 0.204451 ] [ 0.355339 0.9542 0.52415 ] [ 0.35542 0.954027 0.023657 ] [ 0.371285 0.671274 0.583932 ] [ 0.371269 0.673096 0.084665 ] [ 0.397201 0.332827 0.691348 ] [ 0.398261 0.334293 0.192806 ] [ 0.424198 0.829973 0.809647 ] [ 0.415557 0.818367 0.304696 ] [ 0.408756 0.738859 0.986436 ] [ 0.408226 0.739033 0.486037 ] [ 0.462308 0.654702 0.219465 ] [ 0.458871 0.156087 0.425857 ] [ 0.459547 0.156284 0.925917 ] [ 0.483349 0.125949 0.792799 ] [ 0.482949 0.125252 0.293144 ] [ 0.519179 0.877651 0.708433 ] [ 0.516416 0.874568 0.206881 ] [ 0.540417 0.842487 0.073394 ] [ 0.539866 0.841028 0.573408 ] [ 0.537619 0.34579 0.779071 ] [ 0.538655 0.344489 0.280476 ] [ 0.589724 0.261498 0.013231 ] [ 0.587985 0.260405 0.512984 ] [ 0.583233 0.179916 0.694119 ] [ 0.583957 0.17999 0.194753 ] [ 0.607684 0.670172 0.809301 ] [ 0.602874 0.666 0.307165 ] [ 0.627985 0.326664 0.914993 ] [ 0.62752 0.326596 0.415164 ] [ 0.644214 0.04625 0.976277 ] [ 0.643881 0.045917 0.476038 ] [ 0.663887 0.885407 0.796363 ] [ 0.656796 0.881797 0.295765 ] [ 0.689786 0.110427 0.878785 ] [ 0.689513 0.110239 0.378427 ] [ 0.694162 0.716368 0.71313 ] [ 0.694378 0.715774 0.212101 ] [ 0.805823 0.216202 0.463012 ] [ 0.806794 0.216255 0.96308 ] [ 0.809316 0.610112 0.628545 ] [ 0.811183 0.610197 0.127917 ] [ 0.836081 0.385936 0.046363 ] [ 0.837292 0.385278 0.546342 ] [ 0.855504 0.546066 0.726178 ] [ 0.855562 0.546093 0.225851 ] [ 0.872543 0.826535 0.665036 ] [ 0.872333 0.827053 0.165 ] [ 0.892353 0.170068 0.559174 ] [ 0.891875 0.170518 0.059436 ] [ 0.915823 0.679517 0.444254 ] [ 0.916331 0.68018 0.943899 ] [ 0.912443 0.760722 0.763051 ] [ 0.911288 0.760932 0.262992 ] [ 0.962321 0.845047 0.52953 ] [ 0.962809 0.845923 0.028705 ] [ 0.960542 0.340383 0.323536 ] [ 0.960348 0.340934 0.823143 ] [ 0.981232 0.377792 0.458486 ] [ 0.981385 0.377775 0.958563 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" "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" "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" 11.0770465084 "source-unit" "angstrom" } "b" { "source-value" 11.802508921 "source-unit" "angstrom" } "c" { "source-value" 24.9045388429 "source-unit" "angstrom" } "alpha" { "source-value" 96.2487951141 "source-unit" "degree" } "beta" { "source-value" 90.1029236244 "source-unit" "degree" } "gamma" { "source-value" 90.098776866 "source-unit" "degree" } }