{ "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" [ [ 0.285965 0.093851 0.810192 ] [ 0.918266 0.207411 0.720412 ] [ 0.18938 0.311696 0.51491 ] [ 0.698957 0.892346 0.192633 ] [ 0.491437 0.158395 0.312273 ] [ 0.005255 0.035587 0.034218 ] [ 0.700553 0.488289 0.81165 ] [ 0.758057 0.296311 0.113875 ] [ 0.200459 0.65173 0.82768 ] [ 0.402471 0.533173 0.187827 ] [ 0.885394 0.74542 0.531217 ] [ 0.139138 0.79839 0.295682 ] [ 0.497194 0.831399 0.68037 ] [ 0.597292 0.999034 0.006361 ] [ 0.715363 0.272828 0.616855 ] [ 0.540511 0.278168 0.887634 ] [ 0.916558 0.20228 0.943919 ] [ 0.63051 0.38736 0.294069 ] [ 0.116085 0.369809 0.710748 ] [ 0.999722 0.598845 0.987551 ] [ 0.361361 0.595475 0.686894 ] [ 0.865123 0.676863 0.247672 ] [ 0.349176 0.280816 0.410077 ] [ 0.275687 0.632329 0.341086 ] [ 0.428859 0.720354 0.078325 ] [ 0.653147 0.784927 0.39924 ] [ 0.238434 0.861549 0.60839 ] [ 0.955757 0.079222 0.281436 ] [ 0.250646 0.053479 0.01017 ] [ 0.789556 0.771988 0.788866 ] [ 0.023684 0.035676 0.662768 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 8.7132206 "source-unit" "angstrom" } "b" { "source-value" 8.78750749 "source-unit" "angstrom" } "c" { "source-value" 8.85214305 "source-unit" "angstrom" } "alpha" { "source-value" 110.54831833 "source-unit" "degree" } "beta" { "source-value" 110.640671 "source-unit" "degree" } "gamma" { "source-value" 106.73113615 "source-unit" "degree" } }