102 
P3HT pistack-ABaac optimized by PBE-D3paw900, SG=y11axz, nm=4
  S         1.87462048    -0.87656000    -2.12257248
  C         0.65522548     0.25080000    -2.61472248
  C         3.16216298     0.16725000    -2.62325748
  C         1.22694048     1.42281000    -3.11225748
  C         2.64402048     1.36650000    -3.08900248
  H         3.28222048     2.14441000    -3.50653248
  C         0.45884048     2.52532000    -3.78485748
  C         0.10563048     3.72698000    -2.89906248
  H        -0.46404174     2.09685000    -4.20161748
  H         1.05390172     2.87615000    -4.63990745
  C        -0.73144924     4.79521000    -3.60993748
  H         1.03537548     4.17717000    -2.51660748
  H        -0.44573924     3.37350000    -2.01650248
  C        -2.16103924     4.35119000    -3.92817248
  H        -0.22461800     5.11091000    -4.53722745
  H        -0.77636924     5.69260000    -2.97024248
  C        -3.02005800     5.44548000    -4.56038745
  H        -2.64128924     4.00329000    -2.99834748
  H        -2.14882800     3.47599000    -4.59805745
  C        -4.44490772     4.98214000    -4.85788245
  H        -2.54020800     5.79233000    -5.48995245
  H        -3.04798924     6.32016000    -3.88904748
  H        -5.03687772     5.76580000    -5.35123245
  H        -4.96967896     4.70301000    -3.93324248
  H        -4.44732772     4.09918000    -5.51497745
  S         5.76532020     0.87656000    -2.12257248
  C         4.54592520    -0.25080000    -2.61472248
  C         7.05286270    -0.16725000    -2.62325748
  C         5.11764020    -1.42281000    -3.11225748
  C         6.53472020    -1.36650000    -3.08900248
  H         7.17292020    -2.14441000    -3.50653248
  C         4.34954020    -2.52532000    -3.78485748
  C         3.99633020    -3.72698000    -2.89906248
  H         4.94460144    -2.87615000    -4.63990745
  H         3.42665798    -2.09685000    -4.20161748
  C         3.15925048    -4.79521000    -3.60993748
  H         3.44496048    -3.37350000    -2.01650248
  H         4.92607520    -4.17717000    -2.51660748
  C         1.72966048    -4.35119000    -3.92817248
  H         3.11433048    -5.69260000    -2.97024248
  H         3.66608172    -5.11091000    -4.53722745
  C         0.87064172    -5.44548000    -4.56038745
  H         1.74187172    -3.47599000    -4.59805745
  H         1.24941048    -4.00329000    -2.99834748
  C        -0.55420800    -4.98214000    -4.85788245
  H         0.84271048    -6.32016000    -3.88904748
  H         1.35049172    -5.79233000    -5.48995245
  H        -1.14617800    -5.76580000    -5.35123245
  H        -0.55662800    -4.09918000    -5.51497745
  H        -1.07897924    -4.70301000    -3.93324248
  S         2.01607924    -0.87656000     2.12257248
  C         0.79668424     0.25080000     1.63042248
  C         3.30362174     0.16725000     1.62188748
  C         1.36839924     1.42281000     1.13288748
  C         2.78547924     1.36650000     1.15614249
  H         3.42367924     2.14441000     0.73861249
  C         0.60029924     2.52532000     0.46028749
  C         0.24708924     3.72698000     1.34608248
  H        -0.32258298     2.09685000     0.04352748
  H         1.19536048     2.87615000    -0.39476248
  C        -0.58999048     4.79521000     0.63520748
  H         1.17683424     4.17717000     1.72853748
  H        -0.30428048     3.37350000     2.22864248
  C        -2.01958048     4.35119000     0.31697248
  H        -0.08315924     5.11091000    -0.29208248
  H        -0.63491048     5.69260000     1.27490248
  C        -2.87859924     5.44548000    -0.31524248
  H        -2.49983048     4.00329000     1.24679748
  H        -2.00736924     3.47599000    -0.35291248
  C        -4.30344896     4.98214000    -0.61273748
  H        -2.39874924     5.79233000    -1.24480748
  H        -2.90653048     6.32016000     0.35609748
  H        -4.89541896     5.76580000    -1.10608748
  H        -4.82822020     4.70301000     0.31190248
  H        -4.30586896     4.09918000    -1.26983248
  S         5.90677896     0.87656000     2.12257248
  C         4.68738396    -0.25080000     1.63042248
  C         7.19432146    -0.16725000     1.62188748
  C         5.25909896    -1.42281000     1.13288748
  C         6.67617896    -1.36650000     1.15614249
  H         7.31437896    -2.14441000     0.73861249
  C         4.49099896    -2.52532000     0.46028749
  C         4.13778896    -3.72698000     1.34608248
  H         5.08606020    -2.87615000    -0.39476248
  H         3.56811674    -2.09685000     0.04352748
  C         3.30070924    -4.79521000     0.63520748
  H         3.58641924    -3.37350000     2.22864248
  H         5.06753396    -4.17717000     1.72853748
  C         1.87111924    -4.35119000     0.31697248
  H         3.25578924    -5.69260000     1.27490248
  H         3.80754048    -5.11091000    -0.29208248
  C         1.01210048    -5.44548000    -0.31524248
  H         1.88333048    -3.47599000    -0.35291248
  H         1.39086924    -4.00329000     1.24679748
  C        -0.41274924    -4.98214000    -0.61273748
  H         0.98416924    -6.32016000     0.35609748
  H         1.49195048    -5.79233000    -1.24480748
  H        -1.00471924    -5.76580000    -1.10608748
  H        -0.41516924    -4.09918000    -1.26983248
  H        -0.93752048    -4.70301000     0.31190248
  Tv        7.78139944     0.00000000     0.00000000
  Tv        0.28291752     0.00000000     8.49028994
