{ "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" [ [ 0.09201 0.647128 0.465147 ] [ 0.108319 0.155258 0.961862 ] [ 0.90799 0.352872 0.534853 ] [ 0.412017 0.355212 0.540769 ] [ 0.587983 0.644788 0.459231 ] [ 0.394441 0.844422 0.03912 ] [ 0.891681 0.844742 0.038138 ] [ 0.605559 0.155578 0.96088 ] [ 0.299827 0.005212 0.396525 ] [ 0.248139 0.560469 0.243403 ] [ 0.553624 0.275809 0.318478 ] [ 0.983664 0.676012 0.709459 ] [ 0.700173 0.994788 0.603475 ] [ 0.861495 0.999144 0.393781 ] [ 0.016336 0.323988 0.290541 ] [ 0.279375 0.437498 0.757118 ] [ 0.751861 0.439531 0.756597 ] [ 0.446376 0.724191 0.681522 ] [ 0.138505 0.000856 0.606219 ] [ 0.720625 0.562502 0.242882 ] [ 0.321 0.963343 0.888732 ] [ 0.480964 0.801567 0.215009 ] [ 0.679 0.036657 0.111268 ] [ 0.969763 0.782562 0.209087 ] [ 0.608563 0.679846 0.966218 ] [ 0.110277 0.683268 0.966932 ] [ 0.519036 0.198433 0.784991 ] [ 0.391437 0.320154 0.033782 ] [ 0.176435 0.036543 0.113625 ] [ 0.889723 0.316732 0.033068 ] [ 0.030237 0.217438 0.790913 ] [ 0.823565 0.963457 0.886375 ] [ 0.062804 0.88779 0.468112 ] [ 0.238079 0.815228 0.625895 ] [ 0.398804 0.592588 0.558794 ] [ 0.706801 0.329046 0.625517 ] [ 0.601196 0.407412 0.441206 ] [ 0.598765 0.821356 0.603631 ] [ 0.79823 0.663968 0.376191 ] [ 0.926235 0.914792 0.629736 ] [ 0.20177 0.336032 0.623809 ] [ 0.073765 0.085208 0.370264 ] [ 0.251388 0.377444 0.275187 ] [ 0.500739 0.47601 0.724574 ] [ 0.078473 0.40195 0.429599 ] [ 0.35484 0.057105 0.538672 ] [ 0.64516 0.942895 0.461328 ] [ 0.010034 0.493146 0.739043 ] [ 0.499261 0.52399 0.275426 ] [ 0.293199 0.670954 0.374483 ] [ 0.937196 0.11221 0.531888 ] [ 0.921527 0.59805 0.570401 ] [ 0.254724 0.625859 0.728649 ] [ 0.748612 0.622556 0.724813 ] [ 0.761921 0.184772 0.374105 ] [ 0.401235 0.178644 0.396369 ] [ 0.745276 0.374141 0.271351 ] [ 0.989966 0.506854 0.260957 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 8.01540924034 "source-unit" "angstrom" } "b" { "source-value" 10.1058471597 "source-unit" "angstrom" } "c" { "source-value" 14.3504091298 "source-unit" "angstrom" } "alpha" { "source-value" 103.910656709 "source-unit" "degree" } "beta" { "source-value" 105.015812036 "source-unit" "degree" } "gamma" { "source-value" 89.8808131288 "source-unit" "degree" } }