{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.219773 0 0.393947 ] [ 0.780227 0 0.606053 ] [ 0.974453 0.5 0.217021 ] [ 0.025547 0.5 0.782979 ] [ 0.236524 0.5 0.108828 ] [ 0.763476 0.5 0.891172 ] [ 0.719773 0.5 0.393947 ] [ 0.280227 0.5 0.606053 ] [ 0.474453 0 0.217021 ] [ 0.525547 0 0.782979 ] [ 0.736524 0 0.108828 ] [ 0.263476 0 0.891172 ] [ 0.848783 0 0.465417 ] [ 0.151217 0 0.534583 ] [ 0.075866 0.5 0.364166 ] [ 0.924134 0.5 0.635834 ] [ 0.846217 0 0.255769 ] [ 0.153783 0 0.744231 ] [ 0.08919 0 0.140593 ] [ 0.91081 0 0.859407 ] [ 0.146371 0.5 0.942468 ] [ 0.853629 0.5 0.057532 ] [ 0.348783 0.5 0.465417 ] [ 0.651217 0.5 0.534583 ] [ 0.575866 0 0.364166 ] [ 0.424134 0 0.635834 ] [ 0.346217 0.5 0.255769 ] [ 0.653783 0.5 0.744231 ] [ 0.58919 0.5 0.140593 ] [ 0.41081 0.5 0.859407 ] [ 0.646371 0 0.942468 ] [ 0.353629 0 0.057532 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "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" 13.6593940347 "source-unit" "angstrom" } "b" { "source-value" 4.06071723 "source-unit" "angstrom" } "c" { "source-value" 16.696628268 "source-unit" "angstrom" } "beta" { "source-value" 95.5098272886 "source-unit" "degree" } }