102 
P3HT pistack-CA optimized by PBE-D3paw900, SG=p21/b11xz, nm=4
  S         1.18330623    -0.97933000    -1.55755395
  C        -0.02091623     0.24786000    -1.79619395
  C         2.49724373     0.13525000    -1.78434396
  C         0.57990123     1.49048000    -2.04302896
  C         1.98724623     1.40589000    -2.03859646
  H         2.63798123     2.25476000    -2.23775896
  C        -0.19873373     2.74621000    -2.31197896
  C         0.60715623     3.93261000    -2.83814146
  H        -0.74480373     3.04652000    -1.39859145
  H        -0.97956123     2.51389000    -3.05605396
  C        -0.29679623     5.08565000    -3.27312396
  H         1.21617373     3.60217000    -3.69491937
  H         1.31688873     4.28550000    -2.07198396
  C         0.45706873     6.26310000    -3.88783437
  H        -0.88773373     5.43678000    -2.40915896
  H        -1.03056623     4.70564000    -4.00570437
  C        -0.45770123     7.39123000    -4.36536437
  H         1.05914373     5.90243000    -4.74005187
  H         1.17964623     6.66287000    -3.15537646
  C         0.30181623     8.54156000    -5.02349937
  H        -1.04320123     7.77096000    -3.51114187
  H        -1.19323123     6.97977000    -5.07706687
  H        -0.37658623     9.33919000    -5.35663687
  H         0.86187373     8.19190000    -5.90378437
  H         1.02727623     8.98832000    -4.32735687
  S         5.07860868     0.97933000    -1.95211396
  C         3.87438623    -0.24786000    -1.71347396
  C         6.39254618    -0.13525000    -1.72532395
  C         4.47520368    -1.49048000    -1.46663895
  C         5.88254868    -1.40589000    -1.47107145
  H         6.53328368    -2.25476000    -1.27190895
  C         3.69656873    -2.74621000    -1.19768895
  C         4.50245868    -3.93261000    -0.67152645
  H         3.15049873    -3.04652000    -2.11107646
  H         2.91574123    -2.51389000    -0.45361395
  C         3.59850623    -5.08565000    -0.23654395
  H         5.11147618    -3.60217000     0.18525146
  H         5.21219118    -4.28550000    -1.43768395
  C         4.35237118    -6.26310000     0.37816646
  H         3.00756873    -5.43678000    -1.10050895
  H         2.86473623    -4.70564000     0.49603646
  C         3.43760123    -7.39123000     0.85569646
  H         4.95444618    -5.90243000     1.23038396
  H         5.07494868    -6.66287000    -0.35429145
  C         4.19711868    -8.54156000     1.51383146
  H         2.85210123    -7.77096000     0.00147396
  H         2.70207123    -6.97977000     1.56739896
  H         3.51871623    -9.33919000     1.84696896
  H         4.75717618    -8.19190000     2.39411646
  H         4.92257868    -8.98832000     0.81768896
  S         2.71199623    -0.97933000     1.95211396
  C         3.91621868     0.24786000     1.71347396
  C         1.39805873     0.13525000     1.72532395
  C         3.31540123     1.49048000     1.46663895
  C         1.90805623     1.40589000     1.47107145
  H         1.25732123     2.25476000     1.27190895
  C         4.09403618     2.74621000     1.19768895
  C         3.28814623     3.93261000     0.67152645
  H         4.87486368     2.51389000     0.45361395
  H         4.64010618     3.04652000     2.11107646
  C         4.19209868     5.08565000     0.23654395
  H         2.57841373     4.28550000     1.43768395
  H         2.67912873     3.60217000    -0.18525146
  C         3.43823373     6.26310000    -0.37816646
  H         4.92586868     4.70564000    -0.49603646
  H         4.78303618     5.43678000     1.10050895
  C         4.35300368     7.39123000    -0.85569646
  H         2.71565623     6.66287000     0.35429145
  H         2.83615873     5.90243000    -1.23038396
  C         3.59348623     8.54156000    -1.51383146
  H         5.08853368     6.97977000    -1.56739896
  H         4.93850368     7.77096000    -0.00147396
  H         4.27188868     9.33919000    -1.84696896
  H         2.86802623     8.98832000    -0.81768896
  H         3.03342873     8.19190000    -2.39411646
  S         6.60729868     0.97933000     1.55755395
  C         7.81152114    -0.24786000     1.79619395
  C         5.29336118    -0.13525000     1.78434396
  C         7.21070368    -1.49048000     2.04302896
  C         5.80335868    -1.40589000     2.03859646
  H         5.15262368    -2.25476000     2.23775896
  C         7.98933864    -2.74621000     2.31197896
  C         7.18344868    -3.93261000     2.83814146
  H         8.77016614    -2.51389000     3.05605396
  H         8.53540864    -3.04652000     1.39859145
  C         8.08740114    -5.08565000     3.27312396
  H         6.47371618    -4.28550000     2.07198396
  H         6.57443118    -3.60217000     3.69491937
  C         7.33353618    -6.26310000     3.88783437
  H         8.82117114    -4.70564000     4.00570437
  H         8.67833864    -5.43678000     2.40915896
  C         8.24830614    -7.39123000     4.36536437
  H         6.61095868    -6.66287000     3.15537646
  H         6.73146118    -5.90243000     4.74005187
  C         7.48878868    -8.54156000     5.02349937
  H         8.98383614    -6.97977000     5.07706687
  H         8.83380614    -7.77096000     3.51114187
  H         8.16719114    -9.33919000     5.35663687
  H         6.76332868    -8.98832000     4.32735687
  H         6.92873118    -8.19190000     5.90378437
  Tv        7.79060491     0.00000000     0.00000000
  Tv        0.00000000     0.00000000     7.01933582
