P Au 
 1.0000000000000000
     8.8953530000000001    0.0000000000000000    0.0000000000000000
     4.4476769999999997    7.7036020000000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000   33.8941190000000034
 P   Au 
   1  45
Selective dynamics
Cartesian
  2.9304000000000001  1.6918700000000000 13.0267499999999998   T   T   T
  4.5534699999999999  2.6289500000000001 11.6082699999999992   T   T   T
  5.8998999999999997  5.1128900000000002 11.4708100000000002   T   T   T
  7.3768500000000001  7.5202600000000004 11.6110199999999999   T   T   T
  7.3778400000000000  2.5530200000000001 11.4708100000000002   T   T   T
  8.8554300000000001  5.1126800000000001 11.4710400000000003   T   T   T
 10.3740600000000001  7.6650999999999998 11.4513200000000008   T   T   T
 10.2011599999999998  2.6284100000000001 11.6110199999999999   T   T   T
 11.8252000000000006  5.1516500000000001 11.4513200000000008   T   T   T
 13.2776099999999992  7.6658299999999997 11.4524600000000003   T   T   T
  1.4824200000000001  0.8558800000000000  9.1388099999999994   T   T   T
  2.9396200000000001  3.3791400000000000  9.1357800000000005   T   T   T
  4.4282800000000000  5.9730600000000003  9.0686699999999991   T   T   T
  4.3962300000000001  0.8562200000000000  9.1357800000000005   T   T   T
  5.8876999999999997  3.3992599999999999  9.0947800000000001   T   T   T
  7.3871099999999998  5.9969000000000001  9.0947099999999992   T   T   T
  7.3869600000000002  0.8484800000000000  9.0686699999999991   T   T   T
  8.8870199999999997  3.3989799999999999  9.0947099999999992   T   T   T
 10.3448799999999999  5.9726200000000000  9.0681700000000003   T   T   T
  2.9524200000000000  1.7045800000000000  6.7272800000000004   T   T   T
  4.4324399999999997  4.2677699999999996  6.7247800000000000   T   T   T
  5.9201499999999996  6.8464200000000002  6.7265400000000000   T   T   T
  5.9122199999999996  1.7047200000000000  6.7247800000000000   T   T   T
  7.3996399999999998  4.2721799999999996  6.7263500000000001   T   T   T
  8.8792799999999996  6.8456299999999999  6.7255399999999996   T   T   T
  8.8892399999999991  1.7037899999999999  6.7265400000000000   T   T   T
 10.3681300000000007  4.2668699999999999  6.7255399999999996   T   T   T
 11.8472500000000007  6.8400100000000004  6.7167000000000003   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