31 
polyT cryst-bH optimized by PBE-D3paw900, SG=Pmnb
  S         1.94642065    -0.43948941     0.91399047
  C         0.69109565     0.09531691    -0.16612047
  C         3.20174565     0.09531691    -0.16612047
  C         1.24292065     0.66906441    -1.30581047
  C         2.64992065     0.66906441    -1.30581047
  H         0.63811065     1.07224191    -2.11560047
  H         3.25473065     1.07224191    -2.11560047
  S         5.83926196     0.43948941    -0.91399047
  C         4.58393696    -0.09531691     0.16612047
  C         7.09458696    -0.09531691     0.16612047
  C         5.13576196    -0.66906441     1.30581047
  C         6.54276196    -0.66906441     1.30581047
  H         4.53095196    -1.07224191     2.11560047
  H         7.14757196    -1.07224191     2.11560047
  S         1.94642065     3.33996441     1.90705047
  C         0.69109565     3.87477074     2.98716142
  C         3.20174565     3.87477074     2.98716142
  C         1.24292065     4.44851824     4.12685142
  C         2.64992065     4.44851824     4.12685142
  H         0.63811065     4.85169574     4.93664142
  H         3.25473065     4.85169574     4.93664142
  S         5.83926196     4.21894324     3.73503142
  C         4.58393696     3.68413691     2.65492047
  C         7.09458696     3.68413691     2.65492047
  C         5.13576196     3.11038941     1.51523047
  C         6.54276196     3.11038941     1.51523047
  H         4.53095196     2.70721191     0.70544047
  H         7.14757196     2.70721191     0.70544047
  Tv        7.78568261     0.00000000     0.00000000
  Tv        0.00000000     7.55890766     0.00000000
  Tv        0.00000000     0.00000000     5.64208189
