B Au 
 1.0000000000000000
     8.8953530000000001    0.0000000000000000    0.0000000000000000
     4.4476769999999997    7.7036020000000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000   33.8941190000000034
 B   Au 
   1  45
Selective dynamics
Cartesian
  2.9223100000000000  1.6872000000000000 12.3081999999999994   T   T   T
  4.5873100000000004  2.6484800000000002 11.6794700000000002   T   T   T
  5.9026600000000000  5.1035800000000000 11.4706600000000005   T   T   T
  7.3738999999999999  7.4647100000000002 11.6935400000000005   T   T   T
  7.3711599999999997  2.5600700000000001 11.4706600000000005   T   T   T
  8.8449700000000000  5.1066399999999996 11.4703999999999997   T   T   T
 10.3596400000000006  7.6708600000000002 11.4558499999999999   T   T   T
 10.1515799999999992  2.6536400000000002 11.6935400000000005   T   T   T
 11.8229799999999994  5.1362800000000002 11.4558499999999999   T   T   T
 13.2890300000000003  7.6724199999999998 11.4568999999999992   T   T   T
  1.4777600000000000  0.8531900000000000  9.1172500000000003   T   T   T
  2.9364100000000000  3.3809900000000002  9.1149699999999996   T   T   T
  4.4235800000000003  5.9725900000000003  9.0780999999999992   T   T   T
  4.3962300000000001  0.8525100000000000  9.1149699999999996   T   T   T
  5.8774300000000004  3.3933399999999998  9.0864799999999999   T   T   T
  7.3836800000000000  6.0032399999999999  9.0913599999999999   T   T   T
  7.3841999999999999  0.8446399999999999  9.0780999999999992   T   T   T
  8.8908000000000005  3.3928400000000001  9.0913599999999999   T   T   T
 10.3449799999999996  5.9726800000000004  9.0779499999999995   T   T   T
  2.9500000000000002  1.7031799999999999  6.7236000000000002   T   T   T
  4.4314700000000000  4.2710200000000000  6.7224300000000001   T   T   T
  5.9158200000000001  6.8415800000000004  6.7248700000000001   T   T   T
  5.9145500000000002  1.7022600000000001  6.7224300000000001   T   T   T
  7.4004200000000004  4.2726300000000004  6.7315300000000002   T   T   T
  8.8806499999999993  6.8422299999999998  6.7248599999999996   T   T   T
  8.8828899999999997  1.7024600000000001  6.7248700000000001   T   T   T
 10.3658699999999993  4.2697500000000002  6.7248599999999996   T   T   T
 11.8460699999999992  6.8393300000000004  6.7215999999999996   T   T   T
  4.4476699999999996  2.5678600000000000  4.3578000000000001   F   F   F
  5.9302299999999999  5.1357400000000002  4.3578000000000001   F   F   F
  2.9651100000000001  0.0000000000000000  4.3578000000000001   F   F   F
  7.4127999999999998  2.5678600000000000  4.3578000000000001   F   F   F
  8.8953600000000002  5.1357400000000002  4.3578000000000001   F   F   F
  5.9302400000000004  0.0000000000000000  4.3578000000000001   F   F   F
  1.4825600000000001  2.5678600000000000  4.3578000000000001   F   F   F
  2.9651200000000002  5.1357400000000002  4.3578000000000001   F   F   F
  0.0000000000000000  0.0000000000000000  4.3578000000000001   F   F   F
  1.4825600000000001  0.8559500000000000  1.9368099999999999   F   F   F
  2.9651100000000001  3.4238200000000001  1.9368099999999999   F   F   F
  4.4476800000000001  5.9916900000000002  1.9368099999999999   F   F   F
  4.4476699999999996  0.8559500000000000  1.9368099999999999   F   F   F
  5.9302299999999999  3.4238200000000001  1.9368099999999999   F   F   F
  7.4127900000000002  5.9916900000000002  1.9368099999999999   F   F   F
  7.4127999999999998  0.8559500000000000  1.9368099999999999   F   F   F
  8.8953500000000005  3.4238200000000001  1.9368099999999999   F   F   F
 10.3779199999999996  5.9916900000000002  1.9368099999999999   F   F   F