31 
polyT cryst-aX optimized by PBE-D3paw900 below minimal xi, SG=P21/nxz, nm=4
  S         1.94716082    -0.49890300     0.88170941
  C         0.69108311     0.08238137    -0.17262191
  C         3.20250327     0.08017485    -0.17568941
  C         1.24300030     0.67625743    -1.30212941
  C         2.65083181     0.67508175    -1.30504691
  H         0.63615997     1.10226532    -2.09841441
  H         3.25323941     1.10232996    -2.10558441
  S         5.83879634     0.49890300    -0.88170941
  C         4.58345388    -0.08017485     0.17568941
  C         7.09487405    -0.08238137     0.17262191
  C         5.13512535    -0.67508175     1.30504691
  C         6.54295686    -0.67625743     1.30212941
  H         4.53271775    -1.10232996     2.10558441
  H         7.14979718    -1.10226532     2.09841441
  S         3.05713036     4.25733691     3.65814823
  C         1.80178791     3.67825906     2.60074941
  C         4.31320807     3.67605254     2.60381691
  C         2.35345938     3.08335215     1.47139191
  C         3.76129088     3.08217648     1.47430941
  H         1.75105177     2.65610395     0.67085441
  H         4.36813121     2.65616859     0.67802441
  S         6.95145200     3.25953091     1.89472941
  C         5.69537429     3.84081528     2.94906073
  C         8.20679446     3.83860876     2.95212823
  C         6.24729148     4.43469134     4.07856823
  C         7.65512299     4.43351566     4.08148573
  H         5.64045116     4.86069923     4.87485323
  H         8.25753059     4.86076387     4.88202323
  Tv        7.78595716     0.00000000     0.00000000
  Tv        2.22262520     7.51686782     0.00000000
  Tv        0.00000000     0.00000000     5.55287764
