{ "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" [ [ 0.278543 0.86948 0.748054 ] [ 0.493721 0.966778 0.095363 ] [ 0.728123 0.347508 0.775027 ] [ 0.773818 0.980279 0.483889 ] [ 0.924364 0.329789 0.094341 ] [ 0.21471 0.453882 0.671445 ] [ 0.686714 0.628652 0.397847 ] [ 0.26806 0.526696 0.181223 ] [ 0.814174 0.023505 0.843392 ] [ 0.704551 0.293745 0.052424 ] [ 0.973368 0.672815 0.191645 ] [ 0.55329 0.922504 0.347211 ] [ 0.119192 0.52908 0.474585 ] [ 0.624164 0.778569 0.669802 ] [ 0.390545 0.653448 0.545161 ] [ 0.360704 0.584213 0.915627 ] [ 0.640714 0.619977 0.184394 ] [ 0.83894 0.267628 0.339271 ] [ 0.270935 0.278467 0.158322 ] [ 0.065296 0.271147 0.760476 ] [ 0.491953 0.229779 0.634358 ] [ 0.946021 0.929199 0.679213 ] [ 0.201875 0.899959 0.205721 ] [ 0.136225 0.022703 0.05121 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Te" "Te" "Te" "Te" "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" 7.46432086 "source-unit" "angstrom" } "b" { "source-value" 7.68797745 "source-unit" "angstrom" } "c" { "source-value" 8.28916864 "source-unit" "angstrom" } "alpha" { "source-value" 75.06080482 "source-unit" "degree" } "beta" { "source-value" 67.91490967 "source-unit" "degree" } "gamma" { "source-value" 61.44323412 "source-unit" "degree" } }