{ "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" [ [ 0.741522 0.416111 0.973563 ] [ 0.258478 0.583889 0.026437 ] [ 0.752339 0.936767 0.96536 ] [ 0.54864 0.825559 0.718603 ] [ 0.543271 0.398482 0.678944 ] [ 0.122514 0.753347 0.659082 ] [ 0.048578 0.303015 0.656867 ] [ 0.951422 0.696985 0.343133 ] [ 0.877486 0.246653 0.340918 ] [ 0.456729 0.601518 0.321056 ] [ 0.45136 0.174441 0.281397 ] [ 0.247661 0.063233 0.03464 ] [ 0.5007 0.913956 0.911171 ] [ 0.84265 0.809258 0.786167 ] [ 0.807805 0.203972 0.831737 ] [ 0.535588 0.548793 0.832212 ] [ 0.236955 0.842456 0.79225 ] [ 0.099224 0.46635 0.775146 ] [ 0.82827 0.46536 0.565118 ] [ 0.451578 0.65999 0.55427 ] [ 0.548422 0.34001 0.44573 ] [ 0.17173 0.53464 0.434882 ] [ 0.900776 0.53365 0.224854 ] [ 0.763045 0.157544 0.20775 ] [ 0.464412 0.451207 0.167788 ] [ 0.192195 0.796028 0.168263 ] [ 0.15735 0.190742 0.213833 ] [ 0.4993 0.086044 0.088829 ] ] } "species" { "source-value" [ "Na" "Na" "Bi" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.52857375 "source-unit" "angstrom" } "b" { "source-value" 7.77174988 "source-unit" "angstrom" } "c" { "source-value" 10.10668235 "source-unit" "angstrom" } "alpha" { "source-value" 71.53933769 "source-unit" "degree" } "beta" { "source-value" 73.72507481 "source-unit" "degree" } "gamma" { "source-value" 81.30096336 "source-unit" "degree" } }