{ "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" [ [ 0.013622 0.476791 0.717852 ] [ 0.270518 0.803779 0.089173 ] [ 0.01578 0.98914 0.771567 ] [ 0.729482 0.196221 0.910827 ] [ 0.986378 0.523209 0.282148 ] [ 0.98422 0.01086 0.228433 ] [ 0.22147 0.847515 0.340937 ] [ 0.652246 0.638023 0.908281 ] [ 0.240183 0.806632 0.811792 ] [ 0.347754 0.361977 0.091719 ] [ 0.759817 0.193368 0.188208 ] [ 0.627256 0.66399 0.389633 ] [ 0.77853 0.152485 0.659063 ] [ 0.372744 0.33601 0.610367 ] [ 0.430709 0.438037 0.304489 ] [ 0.171955 0.391227 0.543226 ] [ 0.790343 0.853488 0.924487 ] [ 0.183108 0.464185 0.026995 ] [ 0.209657 0.146512 0.075513 ] [ 0.816892 0.535815 0.973005 ] [ 0.626707 0.742604 0.228123 ] [ 0.569291 0.561963 0.695511 ] [ 0.828045 0.608773 0.456774 ] [ 0.373293 0.257396 0.771877 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "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" 7.90841820566 "source-unit" "angstrom" } "b" { "source-value" 7.9451668986 "source-unit" "angstrom" } "c" { "source-value" 9.50479721463 "source-unit" "angstrom" } "alpha" { "source-value" 94.3346501056 "source-unit" "degree" } "beta" { "source-value" 110.385116167 "source-unit" "degree" } "gamma" { "source-value" 107.114073657 "source-unit" "degree" } }