54 
PEDOT pistack-abT optimized by PBE-D3paw900, SG=p2/b11xz, nm=4
  S         1.96144209    -0.98275000     0.27457379
  C         0.69061209     0.17471000    -0.03015629
  C         3.23190209     0.17319000    -0.03609379
  C         1.25522209     1.40789000    -0.33325129
  C         2.66693209     1.40832000    -0.33040879
  O         0.50829209     2.53401000    -0.59677129
  O         3.41271209     2.53009000    -0.61245879
  C         1.29490209     3.56078000    -1.22756629
  C         2.62567209     3.72669000    -0.51383629
  H         1.45544209     3.29534000    -2.28461879
  H         2.46095709     3.96601000     0.55220879
  H         0.69890709     4.48099000    -1.16136629
  H         3.22139709     4.52163000    -0.98224379
  S         5.88329210     0.98275000    -0.27457379
  C         4.61283210    -0.17319000     0.03609379
  C         7.15412210    -0.17471000     0.03015629
  C         5.17780210    -1.40832000     0.33040879
  C         6.58951210    -1.40789000     0.33325129
  O         4.43202210    -2.53009000     0.61245879
  O         7.33644210    -2.53401000     0.59677129
  C         5.21906210    -3.72669000     0.51383629
  C         6.54983210    -3.56078000     1.22756629
  H         4.62333710    -4.52163000     0.98224379
  H         7.14582710    -4.48099000     1.16136629
  H         5.38377710    -3.96601000    -0.55220879
  H         6.38929210    -3.29534000     2.28461879
  S         1.96144209     0.98275000     3.35813379
  C         0.69061209    -0.17471000     3.66286387
  C         3.23190209    -0.17319000     3.66880137
  C         1.25522209    -1.40789000     3.96595887
  C         2.66693209    -1.40832000     3.96311637
  O         0.50829209    -2.53401000     4.22947887
  O         3.41271209    -2.53009000     4.24516637
  C         1.29490209    -3.56078000     4.86027387
  C         2.62567209    -3.72669000     4.14654387
  H         1.45544209    -3.29534000     5.91732637
  H         2.46095709    -3.96601000     3.08049879
  H         0.69890709    -4.48099000     4.79407387
  H         3.22139709    -4.52163000     4.61495137
  S         5.88329210    -0.98275000     3.90728137
  C         4.61283210     0.17319000     3.59661379
  C         7.15412210     0.17471000     3.60255129
  C         5.17780210     1.40832000     3.30229879
  C         6.58951210     1.40789000     3.29945629
  O         4.43202210     2.53009000     3.02024879
  O         7.33644210     2.53401000     3.03593629
  C         5.21906210     3.72669000     3.11887129
  C         6.54983210     3.56078000     2.40514129
  H         4.62333710     4.52163000     2.65046379
  H         7.14582710     4.48099000     2.47134129
  H         5.38377710     3.96601000     4.18491637
  H         6.38929210     3.29534000     1.34808879
  Tv        7.84473419     0.00000000     0.00000000
  Tv        0.00000000     0.00000000     7.26541516
