Ba 1.0000000000000000 4.5503861957150411 -0.0000000000000000 0.0000000000000000 -2.2751930978575206 3.9407500425192534 0.0000000000000000 -0.0000000000000000 -0.0000000000000000 7.3942452281105906 Ba 2 Selective dynamics Cartesian -0.0000000227519313 2.6271667081486685 1.8485613070276472 T T T 2.2751930751055891 1.3135833606422518 5.5456839210829418 T T T