Au Ne 
 1.0000000000000000
     8.8953530000000001    0.0000000000000000    0.0000000000000000
     4.4476769999999997    7.7036020000000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000   33.8941190000000034
 Au  Ne 
  45   1
Selective dynamics
Cartesian
  4.4485200000000003  2.5683500000000001 11.5074500000000004   T   T   T
  5.9306299999999998  5.1360500000000000 11.5077300000000005   T   T   T
  7.4127700000000001  7.7035900000000002 11.5088200000000001   T   T   T
  7.4132600000000002  2.5680499999999999 11.5077300000000005   T   T   T
  8.8962400000000006  5.1362500000000004 11.5069300000000005   T   T   T
  5.9300199999999998  0.0004300000000000 11.5068699999999993   T   T   T
 10.3778900000000007  2.5678500000000000 11.5088200000000001   T   T   T
  2.9653800000000001  5.1353299999999997 11.5068699999999993   T   T   T
 13.3426700000000000  7.7034000000000002 11.5079499999999992   T   T   T
  1.4827300000000001  0.8560500000000000  9.1004299999999994   T   T   T
  2.9648800000000000  3.4227699999999999  9.1017399999999995   T   T   T
  4.4482200000000001  5.9913299999999996  9.1016700000000004   T   T   T
  4.4466500000000000  0.8562800000000000  9.1017399999999995   T   T   T
  5.9321400000000004  3.4249200000000002  9.1017499999999991   T   T   T
  7.4122899999999996  5.9923500000000001  9.1013500000000001   T   T   T
  7.4127599999999996  0.8566100000000000  9.1016700000000004   T   T   T
  8.8956700000000009  3.4230600000000000  9.1013500000000001   T   T   T
 10.3793500000000005  5.9925199999999998  9.1006300000000007   T   T   T
  2.9646300000000001  1.7116300000000000  6.7281000000000004   T   T   T
  4.4476300000000002  4.2792599999999998  6.7301200000000003   T   T   T
  5.9298400000000004  6.8470199999999997  6.7280800000000003   T   T   T
  5.9297700000000004  1.7121299999999999  6.7301200000000003   T   T   T
  7.4140300000000003  4.2804900000000004  6.7285100000000000   T   T   T
  8.8959700000000002  6.8484499999999997  6.7298099999999996   T   T   T
  8.8946199999999997  1.7118800000000001  6.7280800000000003   T   T   T
 10.3789200000000008  4.2799100000000001  6.7298099999999996   T   T   T
 11.8612000000000002  6.8480699999999999  6.7293099999999999   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
  2.1953999999999998  1.2675099999999999 15.1381700000000006   T   T   T