{ "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" [ [ 0.997259 0.001642 0.799379 ] [ 0.50126 0.503875 0.699193 ] [ 0.999545 0.003133 0.599634 ] [ 0.499415 0.500624 0.499847 ] [ 0.000152 0.998108 0.399833 ] [ 0.499045 0.498868 0.300007 ] [ 0.99959 0.000333 0.20042 ] [ 0.502084 0.498716 0.100263 ] [ 0.004064 0.996402 0.998337 ] [ 0.491019 0.498286 0.901055 ] [ 0.500377 0.004276 0.648897 ] [ 0.998427 0.502771 0.549877 ] [ 0.500737 0.99899 0.449797 ] [ 0.999305 0.497338 0.349934 ] [ 0.498541 0.999872 0.250664 ] [ 0.001229 0.500151 0.152476 ] [ 0.501258 0.000107 0.152584 ] [ 0.502927 0.996739 0.056832 ] [ 0.003414 0.496441 0.057753 ] [ 0.492936 0.998735 0.8425 ] [ 0.503986 0.997654 0.949411 ] [ 0.992634 0.499812 0.842596 ] [ 0.001355 0.503679 0.747526 ] [ 0.501299 0.003971 0.746908 ] [ 0.00067 0.504287 0.649281 ] [ 0.498472 0.001986 0.549694 ] [ 0.000587 0.498578 0.449866 ] [ 0.50007 0.998036 0.349978 ] [ 0.99848 0.500276 0.250586 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "U" "U" "Bi" "Bi" "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" 3.83503798 "source-unit" "angstrom" } "b" { "source-value" 3.83467652 "source-unit" "angstrom" } "c" { "source-value" 27.47633197 "source-unit" "angstrom" } "alpha" { "source-value" 89.9771378 "source-unit" "degree" } "beta" { "source-value" 89.93670713 "source-unit" "degree" } "gamma" { "source-value" 89.99651337 "source-unit" "degree" } }