{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.219239 0.888364 ] [ 0 0.219239 0.111636 ] [ 0 0.780761 0.888364 ] [ 0.5 0.780761 0.111636 ] [ 0 0.719239 0.388364 ] [ 0.5 0.719239 0.611636 ] [ 0.5 0.280761 0.388364 ] [ 0 0.280761 0.611636 ] [ 0 0.713635 0.249238 ] [ 0 0.89071 0.086778 ] [ 0.5 0.10929 0.086778 ] [ 0.5 0.713635 0.750762 ] [ 0 0.286365 0.750762 ] [ 0 0.10929 0.913222 ] [ 0.5 0.89071 0.913222 ] [ 0.5 0.286365 0.249238 ] [ 0.5 0.213635 0.749238 ] [ 0.5 0.39071 0.586778 ] [ 0 0.60929 0.586778 ] [ 0 0.213635 0.250762 ] [ 0.5 0.786365 0.250762 ] [ 0.5 0.60929 0.413222 ] [ 0 0.39071 0.413222 ] [ 0 0.786365 0.749238 ] ] } "species" { "source-value" [ "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" 4.15488207814 "source-unit" "angstrom" } "b" { "source-value" 6.61675895334 "source-unit" "angstrom" } "c" { "source-value" 15.4539837495 "source-unit" "angstrom" } }