{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.059284 0.198728 0.52404 ] [ 0.440716 0.698728 0.97596 ] [ 0.940716 0.801272 0.47596 ] [ 0.559284 0.301272 0.02404 ] [ 0.544531 0.337953 0.53289 ] [ 0.955469 0.837953 0.96711 ] [ 0.455469 0.662047 0.46711 ] [ 0.044531 0.162047 0.03289 ] [ 0.702773 0.980911 0.187404 ] [ 0.297227 0.019089 0.812596 ] [ 0.202773 0.519089 0.687404 ] [ 0.797227 0.480911 0.312596 ] [ 0.994694 0.449707 0.836014 ] [ 0.505306 0.949707 0.663986 ] [ 0.005306 0.550293 0.163986 ] [ 0.494694 0.050293 0.336014 ] [ 0.156906 0.409592 0.060165 ] [ 0.343094 0.909592 0.439835 ] [ 0.843094 0.590408 0.939835 ] [ 0.656906 0.090408 0.560165 ] [ 0.343076 0.205616 0.280334 ] [ 0.843076 0.294384 0.780334 ] [ 0.156924 0.705616 0.219666 ] [ 0.656924 0.794384 0.719666 ] [ 0.206666 0.441634 0.457292 ] [ 0.293334 0.941634 0.042708 ] [ 0.793334 0.558366 0.542708 ] [ 0.706666 0.058366 0.957292 ] [ 0.537203 0.508956 0.211654 ] [ 0.962797 0.008956 0.288346 ] [ 0.462797 0.491044 0.788346 ] [ 0.037203 0.991044 0.711654 ] [ 0.311988 0.211903 0.796906 ] [ 0.188012 0.711903 0.703094 ] [ 0.688012 0.788097 0.203094 ] [ 0.811988 0.288097 0.296906 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.60553027047 "source-unit" "angstrom" } "b" { "source-value" 12.46774478 "source-unit" "angstrom" } "c" { "source-value" 9.32577931008 "source-unit" "angstrom" } "beta" { "source-value" 93.9340553862 "source-unit" "degree" } }