{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "F2dd" } "basis-atom-coordinates" { "source-value" [ [ 0 0.499042 0.5 ] [ 0.25 0.749042 0.75 ] [ 0 0.999042 0 ] [ 0.25 0.249042 0.25 ] [ 0.5 0.999042 0.5 ] [ 0.75 0.249042 0.75 ] [ 0.5 0.499042 0 ] [ 0.75 0.749042 0.25 ] [ 0.75 0.760393 0.75 ] [ 0 0.010393 0.5 ] [ 0.75 0.260393 0.25 ] [ 0 0.510393 0 ] [ 0.25 0.260393 0.75 ] [ 0.5 0.510393 0.5 ] [ 0.25 0.760393 0.25 ] [ 0.5 0.010393 0 ] [ 0.75356 0.244063 0.488094 ] [ 0.74644 0.744063 0.511906 ] [ 0.99644 0.994063 0.738094 ] [ 0.00356 0.994063 0.261906 ] [ 0.75356 0.744063 0.988094 ] [ 0.74644 0.244063 0.011906 ] [ 0.99644 0.494063 0.238094 ] [ 0.00356 0.494063 0.761906 ] [ 0.25356 0.744063 0.488094 ] [ 0.24644 0.244063 0.511906 ] [ 0.49644 0.494063 0.738094 ] [ 0.50356 0.494063 0.261906 ] [ 0.25356 0.244063 0.988094 ] [ 0.24644 0.744063 0.011906 ] [ 0.49644 0.994063 0.238094 ] [ 0.50356 0.994063 0.761906 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.06588557 "source-unit" "angstrom" } "b" { "source-value" 8.07666575 "source-unit" "angstrom" } "c" { "source-value" 11.81541829 "source-unit" "angstrom" } }