{ "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 0.5 0 ] [ 0.308007 0.692013 0.897701 ] [ 0.691993 0.307987 0.102299 ] [ 0.307222 0.005186 0.781566 ] [ 0.692778 0.994814 0.218434 ] [ 0.631163 0.892037 0.82291 ] [ 0.368837 0.107963 0.17709 ] [ 0.32489 0.38692 0.006201 ] [ 0.67511 0.61308 0.993799 ] [ 0.928366 0.083853 0.721623 ] [ 0.071634 0.916147 0.278377 ] [ 0.876106 0.375691 0.595167 ] [ 0.123894 0.624309 0.404833 ] [ 0.202268 0.294684 0.589357 ] [ 0.797732 0.705316 0.410643 ] [ 0.071822 0.242022 0.18533 ] [ 0.928178 0.757978 0.81467 ] [ 0.484961 0.203846 0.576148 ] [ 0.515039 0.796154 0.423852 ] [ 0.448256 0.91539 0.897023 ] [ 0.551744 0.08461 0.102977 ] [ 0.16695 0.471992 0.902457 ] [ 0.83305 0.528008 0.097543 ] [ 0.216494 0.142174 0.286117 ] [ 0.783506 0.857826 0.713883 ] [ 0.043049 0.300696 0.698321 ] [ 0.956951 0.699304 0.301679 ] [ 0.364173 0.323483 0.486041 ] [ 0.635827 0.676517 0.513959 ] [ 0.499824 0.40996 0.203195 ] [ 0.500176 0.59004 0.796805 ] [ 0.170087 0.098391 0.931014 ] [ 0.829913 0.901609 0.068986 ] [ 0.88437 0.200893 0.980717 ] [ 0.11563 0.799107 0.019283 ] [ 0.781882 0.487756 0.775344 ] [ 0.218118 0.512244 0.224656 ] [ 0.462814 0.28704 0.865269 ] [ 0.537186 0.71296 0.134731 ] [ 0.964687 0.344162 0.344363 ] [ 0.035313 0.655838 0.655637 ] [ 0.857289 0.01301 0.415117 ] [ 0.142711 0.98699 0.584883 ] [ 0.617854 0.093742 0.670989 ] [ 0.382146 0.906258 0.329011 ] [ 0.663766 0.32015 0.419439 ] [ 0.336234 0.67985 0.580561 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.6194414983 "source-unit" "angstrom" } "b" { "source-value" 11.6540813034 "source-unit" "angstrom" } "c" { "source-value" 12.7384719541 "source-unit" "angstrom" } "alpha" { "source-value" 106.125852095 "source-unit" "degree" } "beta" { "source-value" 106.247612248 "source-unit" "degree" } "gamma" { "source-value" 108.324673428 "source-unit" "degree" } }