31 
polyT cryst-aH optimized by PBE-D3paw900, SG=Pmcn
  S         1.94587755    -0.49447486     0.88492400
  C         0.69084255     0.06089736    -0.18378150
  C         3.20091255     0.06089736    -0.18378150
  C         1.24217255     0.61667736    -1.33324650
  C         2.64958255     0.61667736    -1.33324650
  H         0.64036255     1.02781236    -2.14135400
  H         3.25139255     1.02781236    -2.14135400
  S         5.83763265     0.49447486    -0.88492400
  C         4.58259765    -0.06089736     0.18378150
  C         7.09266765    -0.06089736     0.18378150
  C         5.13392765    -0.61667736     1.33324650
  C         6.54133765    -0.61667736     1.33324650
  H         4.53211765    -1.02781236     2.14135400
  H         7.14314765    -1.02781236     2.14135400
  S         1.94587755     4.20836957     3.70532701
  C         0.69084255     3.65299736     2.63662150
  C         3.20091255     3.65299736     2.63662150
  C         1.24217255     3.09721736     1.48715650
  C         2.64958255     3.09721736     1.48715650
  H         0.64036255     2.68608236     0.67904900
  H         3.25139255     2.68608236     0.67904900
  S         5.83763265     3.21941986     1.93547900
  C         4.58259765     3.77479207     3.00418451
  C         7.09266765     3.77479207     3.00418451
  C         5.13392765     4.33057207     4.15364951
  C         6.54133765     4.33057207     4.15364951
  H         4.53211765     4.74170707     4.96175701
  H         7.14314765     4.74170707     4.96175701
  Tv        7.78351019     0.00000000     0.00000000
  Tv        0.00000000     7.42778942     0.00000000
  Tv        0.00000000     0.00000000     5.64080601
