{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnna" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0.25 0.754236 0.75 ] [ 0.75 0.745764 0.75 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.25 0.254236 0.25 ] [ 0.75 0.245764 0.25 ] [ 0 0.75 0.099978 ] [ 0.5 0.75 0.400022 ] [ 0.5 0.25 0.599978 ] [ 0 0.25 0.900022 ] [ 0.787853 0.914552 0.923909 ] [ 0.712147 0.914552 0.576091 ] [ 0.75 0.909155 0.25 ] [ 0.25 0.590845 0.25 ] [ 0.212147 0.585448 0.923909 ] [ 0.287853 0.585448 0.576091 ] [ 0.787853 0.414552 0.076091 ] [ 0.712147 0.414552 0.423909 ] [ 0.75 0.409155 0.75 ] [ 0.25 0.090845 0.75 ] [ 0.287853 0.085448 0.423909 ] [ 0.212147 0.085448 0.076091 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "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" 5.76864161 "source-unit" "angstrom" } "b" { "source-value" 5.77971308 "source-unit" "angstrom" } "c" { "source-value" 9.47750615 "source-unit" "angstrom" } }