#\#CIF1.1
##########################################################################
#               Crystallographic Information Format file 
#               Produced by PyCifRW module
# 
#  This is a CIF file.  CIF has been adopted by the International
#  Union of Crystallography as the standard for data archiving and 
#  transmission.
#
#  For information on this file format, follow the CIF links at
#  http://www.iucr.org
##########################################################################

data_0
loop_
  _cod_molecule_atom_symop_xyz
  _cod_molecule_atom_transl_y
  _cod_molecule_atom_transl_x
  _cod_molecule_atom_transl_z
  _cod_molecule_atom_mult_ratio
  _cod_molecule_atom_symmetry
  _cod_molecule_atom_label
  _cod_molecule_atom_orig_label
  _cod_molecule_atom_mult
  _cod_molecule_atom_symop_id
  _cod_molecule_atom_transl_id
   x,y,z  0  0  0  1  '1_555'  O1  O1  4  1  555
   x,y,z  0  0  0  1  '1_555'  O6  O6  4  1  555
   x,y,z  0  0  0  1  '1_555'  O7  O7  4  1  555
   x,y,z  0  0  0  1  '1_555'  O8  O8  4  1  555
   x,y,z  0  0  0  1  '1_555'  P1  P1  4  1  555
   x,y,z  0  -4  -1  1  '1_154'  'H2_1_154'  H2  4  1  154
   x,y,z  0  -3  -1  1  '1_254'  'H2_1_254'  H2  4  1  254
   x,y,z  0  -2  -1  1  '1_354'  'H2_1_354'  H2  4  1  354
   x,y,z  0  -1  -1  1  '1_454'  'H2_1_454'  H2  4  1  454
   x,y,z  0  0  -1  1  '1_554'  'H2_1_554'  H2  4  1  554
   x,y,z  0  1  -1  1  '1_654'  'H2_1_654'  H2  4  1  654
   x,y,z  0  2  -1  1  '1_754'  'H2_1_754'  H2  4  1  754
   x,y,z  0  3  -1  1  '1_854'  'H2_1_854'  H2  4  1  854
   x,y,z  0  4  -1  1  '1_954'  'H2_1_954'  H2  4  1  954
   -x,-y,-z  1  -4  0  1  '3_165'  'H2_3_165'  H2  4  3  165
   -x,-y,-z  1  -3  0  1  '3_265'  'H2_3_265'  H2  4  3  265
   -x,-y,-z  1  -2  0  1  '3_365'  'H2_3_365'  H2  4  3  365
   -x,-y,-z  1  -1  0  1  '3_465'  'H2_3_465'  H2  4  3  465
   -x,-y,-z  1  0  0  1  '3_565'  'H2_3_565'  H2  4  3  565
   -x,-y,-z  1  1  0  1  '3_665'  'H2_3_665'  H2  4  3  665
   -x,-y,-z  1  2  0  1  '3_765'  'H2_3_765'  H2  4  3  765
   -x,-y,-z  1  3  0  1  '3_865'  'H2_3_865'  H2  4  3  865
   -x,-y,-z  1  4  0  1  '3_965'  'H2_3_965'  H2  4  3  965
   x,y,z  0  -4  0  1  '1_155'  'O1_1_155'  O1  4  1  155
   x,y,z  0  -3  0  1  '1_255'  'O1_1_255'  O1  4  1  255
   x,y,z  0  -2  0  1  '1_355'  'O1_1_355'  O1  4  1  355
   x,y,z  0  -1  0  1  '1_455'  'O1_1_455'  O1  4  1  455
   x,y,z  0  1  0  1  '1_655'  'O1_1_655'  O1  4  1  655
   x,y,z  0  2  0  1  '1_755'  'O1_1_755'  O1  4  1  755
   x,y,z  0  3  0  1  '1_855'  'O1_1_855'  O1  4  1  855
   x,y,z  0  4  0  1  '1_955'  'O1_1_955'  O1  4  1  955
   -x,-y,-z  1  -4  -1  1  '3_164'  'O1_3_164'  O1  4  3  164
   -x,-y,-z  1  -3  -1  1  '3_264'  'O1_3_264'  O1  4  3  264
   -x,-y,-z  1  -2  -1  1  '3_364'  'O1_3_364'  O1  4  3  364
   -x,-y,-z  1  -1  -1  1  '3_464'  'O1_3_464'  O1  4  3  464
   -x,-y,-z  1  0  -1  1  '3_564'  'O1_3_564'  O1  4  3  564
   -x,-y,-z  1  1  -1  1  '3_664'  'O1_3_664'  O1  4  3  664
   -x,-y,-z  1  2  -1  1  '3_764'  'O1_3_764'  O1  4  3  764
   -x,-y,-z  1  3  -1  1  '3_864'  'O1_3_864'  O1  4  3  864
   -x,-y,-z  1  4  -1  1  '3_964'  'O1_3_964'  O1  4  3  964
   x,y,z  0  -4  -1  1  '1_154'  'O2_1_154'  O2  4  1  154
   x,y,z  0  -3  -1  1  '1_254'  'O2_1_254'  O2  4  1  254
   x,y,z  0  -2  -1  1  '1_354'  'O2_1_354'  O2  4  1  354
   x,y,z  0  -1  -1  1  '1_454'  'O2_1_454'  O2  4  1  454
   x,y,z  0  0  -1  1  '1_554'  'O2_1_554'  O2  4  1  554
   x,y,z  0  1  -1  1  '1_654'  'O2_1_654'  O2  4  1  654
   x,y,z  0  2  -1  1  '1_754'  'O2_1_754'  O2  4  1  754
   x,y,z  0  3  -1  1  '1_854'  'O2_1_854'  O2  4  1  854
   x,y,z  0  4  -1  1  '1_954'  'O2_1_954'  O2  4  1  954
   -x,-y,-z  1  -4  0  1  '3_165'  'O2_3_165'  O2  4  3  165
   -x,-y,-z  1  -3  0  1  '3_265'  'O2_3_265'  O2  4  3  265
   -x,-y,-z  1  -2  0  1  '3_365'  'O2_3_365'  O2  4  3  365
   -x,-y,-z  1  -1  0  1  '3_465'  'O2_3_465'  O2  4  3  465
   -x,-y,-z  1  0  0  1  '3_565'  'O2_3_565'  O2  4  3  565
   -x,-y,-z  1  1  0  1  '3_665'  'O2_3_665'  O2  4  3  665
   -x,-y,-z  1  2  0  1  '3_765'  'O2_3_765'  O2  4  3  765
   -x,-y,-z  1  3  0  1  '3_865'  'O2_3_865'  O2  4  3  865
   -x,-y,-z  1  4  0  1  '3_965'  'O2_3_965'  O2  4  3  965
   x,y,z  0  -4  -1  1  '1_154'  'O3_1_154'  O3  4  1  154
   x,y,z  0  -3  -1  1  '1_254'  'O3_1_254'  O3  4  1  254
   x,y,z  0  -2  -1  1  '1_354'  'O3_1_354'  O3  4  1  354
   x,y,z  0  -1  -1  1  '1_454'  'O3_1_454'  O3  4  1  454
   x,y,z  0  0  -1  1  '1_554'  'O3_1_554'  O3  4  1  554
   x,y,z  0  1  -1  1  '1_654'  'O3_1_654'  O3  4  1  654
   x,y,z  0  2  -1  1  '1_754'  'O3_1_754'  O3  4  1  754
   x,y,z  0  3  -1  1  '1_854'  'O3_1_854'  O3  4  1  854
   x,y,z  0  4  -1  1  '1_954'  'O3_1_954'  O3  4  1  954
   -x,-y,-z  1  -4  0  1  '3_165'  'O3_3_165'  O3  4  3  165
   -x,-y,-z  1  -3  0  1  '3_265'  'O3_3_265'  O3  4  3  265
   -x,-y,-z  1  -2  0  1  '3_365'  'O3_3_365'  O3  4  3  365
   -x,-y,-z  1  -1  0  1  '3_465'  'O3_3_465'  O3  4  3  465
   -x,-y,-z  1  0  0  1  '3_565'  'O3_3_565'  O3  4  3  565
   -x,-y,-z  1  1  0  1  '3_665'  'O3_3_665'  O3  4  3  665
   -x,-y,-z  1  2  0  1  '3_765'  'O3_3_765'  O3  4  3  765
   -x,-y,-z  1  3  0  1  '3_865'  'O3_3_865'  O3  4  3  865
   -x,-y,-z  1  4  0  1  '3_965'  'O3_3_965'  O3  4  3  965
   x,y,z  1  -4  0  1  '1_165'  'O4_1_165'  O4  4  1  165
   x,y,z  1  -3  0  1  '1_265'  'O4_1_265'  O4  4  1  265
   x,y,z  1  -2  0  1  '1_365'  'O4_1_365'  O4  4  1  365
   x,y,z  1  -1  0  1  '1_465'  'O4_1_465'  O4  4  1  465
   x,y,z  1  0  0  1  '1_565'  'O4_1_565'  O4  4  1  565
   x,y,z  1  1  0  1  '1_665'  'O4_1_665'  O4  4  1  665
   x,y,z  1  2  0  1  '1_765'  'O4_1_765'  O4  4  1  765
   x,y,z  1  3  0  1  '1_865'  'O4_1_865'  O4  4  1  865
   x,y,z  1  4  0  1  '1_965'  'O4_1_965'  O4  4  1  965
   -x,-y,-z  0  -4  -1  1  '3_154'  'O4_3_154'  O4  4  3  154
   -x,-y,-z  0  -3  -1  1  '3_254'  'O4_3_254'  O4  4  3  254
   -x,-y,-z  0  -2  -1  1  '3_354'  'O4_3_354'  O4  4  3  354
   -x,-y,-z  0  -1  -1  1  '3_454'  'O4_3_454'  O4  4  3  454
   -x,-y,-z  0  0  -1  1  '3_554'  'O4_3_554'  O4  4  3  554
   -x,-y,-z  0  1  -1  1  '3_654'  'O4_3_654'  O4  4  3  654
   -x,-y,-z  0  2  -1  1  '3_754'  'O4_3_754'  O4  4  3  754
   -x,-y,-z  0  3  -1  1  '3_854'  'O4_3_854'  O4  4  3  854
   -x,-y,-z  0  4  -1  1  '3_954'  'O4_3_954'  O4  4  3  954
   x,y,z  0  -4  -1  1  '1_154'  'O5_1_154'  O5  4  1  154
   x,y,z  0  -3  -1  1  '1_254'  'O5_1_254'  O5  4  1  254
   x,y,z  0  -2  -1  1  '1_354'  'O5_1_354'  O5  4  1  354
   x,y,z  0  -1  -1  1  '1_454'  'O5_1_454'  O5  4  1  454
   x,y,z  0  0  -1  1  '1_554'  'O5_1_554'  O5  4  1  554
   x,y,z  0  1  -1  1  '1_654'  'O5_1_654'  O5  4  1  654
   x,y,z  0  2  -1  1  '1_754'  'O5_1_754'  O5  4  1  754
   x,y,z  0  3  -1  1  '1_854'  'O5_1_854'  O5  4  1  854
   x,y,z  0  4  -1  1  '1_954'  'O5_1_954'  O5  4  1  954
   -x,-y,-z  1  -4  0  1  '3_165'  'O5_3_165'  O5  4  3  165
   -x,-y,-z  1  -3  0  1  '3_265'  'O5_3_265'  O5  4  3  265
   -x,-y,-z  1  -2  0  1  '3_365'  'O5_3_365'  O5  4  3  365
   -x,-y,-z  1  -1  0  1  '3_465'  'O5_3_465'  O5  4  3  465
   -x,-y,-z  1  0  0  1  '3_565'  'O5_3_565'  O5  4  3  565
   -x,-y,-z  1  1  0  1  '3_665'  'O5_3_665'  O5  4  3  665
   -x,-y,-z  1  2  0  1  '3_765'  'O5_3_765'  O5  4  3  765
   -x,-y,-z  1  3  0  1  '3_865'  'O5_3_865'  O5  4  3  865
   -x,-y,-z  1  4  0  1  '3_965'  'O5_3_965'  O5  4  3  965
   x,y,z  0  -4  0  1  '1_155'  'O6_1_155'  O6  4  1  155
   x,y,z  0  -3  0  1  '1_255'  'O6_1_255'  O6  4  1  255
   x,y,z  0  -2  0  1  '1_355'  'O6_1_355'  O6  4  1  355
   x,y,z  0  -1  0  1  '1_455'  'O6_1_455'  O6  4  1  455
   x,y,z  0  1  0  1  '1_655'  'O6_1_655'  O6  4  1  655
   x,y,z  0  2  0  1  '1_755'  'O6_1_755'  O6  4  1  755
   x,y,z  0  3  0  1  '1_855'  'O6_1_855'  O6  4  1  855
   x,y,z  0  4  0  1  '1_955'  'O6_1_955'  O6  4  1  955
   -x,-y,-z  1  -4  -1  1  '3_164'  'O6_3_164'  O6  4  3  164
   -x,-y,-z  1  -3  -1  1  '3_264'  'O6_3_264'  O6  4  3  264
   -x,-y,-z  1  -2  -1  1  '3_364'  'O6_3_364'  O6  4  3  364
   -x,-y,-z  1  -1  -1  1  '3_464'  'O6_3_464'  O6  4  3  464
   -x,-y,-z  1  0  -1  1  '3_564'  'O6_3_564'  O6  4  3  564
   -x,-y,-z  1  1  -1  1  '3_664'  'O6_3_664'  O6  4  3  664
   -x,-y,-z  1  2  -1  1  '3_764'  'O6_3_764'  O6  4  3  764
   -x,-y,-z  1  3  -1  1  '3_864'  'O6_3_864'  O6  4  3  864
   -x,-y,-z  1  4  -1  1  '3_964'  'O6_3_964'  O6  4  3  964
   x,y,z  0  -4  0  1  '1_155'  'O7_1_155'  O7  4  1  155
   x,y,z  0  -3  0  1  '1_255'  'O7_1_255'  O7  4  1  255
   x,y,z  0  -2  0  1  '1_355'  'O7_1_355'  O7  4  1  355
   x,y,z  0  -1  0  1  '1_455'  'O7_1_455'  O7  4  1  455
   x,y,z  0  1  0  1  '1_655'  'O7_1_655'  O7  4  1  655
   x,y,z  0  2  0  1  '1_755'  'O7_1_755'  O7  4  1  755
   x,y,z  0  3  0  1  '1_855'  'O7_1_855'  O7  4  1  855
   x,y,z  0  4  0  1  '1_955'  'O7_1_955'  O7  4  1  955
   -x,-y,-z  1  -4  -1  1  '3_164'  'O7_3_164'  O7  4  3  164
   -x,-y,-z  1  -3  -1  1  '3_264'  'O7_3_264'  O7  4  3  264
   -x,-y,-z  1  -2  -1  1  '3_364'  'O7_3_364'  O7  4  3  364
   -x,-y,-z  1  -1  -1  1  '3_464'  'O7_3_464'  O7  4  3  464
   -x,-y,-z  1  0  -1  1  '3_564'  'O7_3_564'  O7  4  3  564
   -x,-y,-z  1  1  -1  1  '3_664'  'O7_3_664'  O7  4  3  664
   -x,-y,-z  1  2  -1  1  '3_764'  'O7_3_764'  O7  4  3  764
   -x,-y,-z  1  3  -1  1  '3_864'  'O7_3_864'  O7  4  3  864
   -x,-y,-z  1  4  -1  1  '3_964'  'O7_3_964'  O7  4  3  964
   x,y,z  0  -4  0  1  '1_155'  'O8_1_155'  O8  4  1  155
   x,y,z  0  -3  0  1  '1_255'  'O8_1_255'  O8  4  1  255
   x,y,z  0  -2  0  1  '1_355'  'O8_1_355'  O8  4  1  355
   x,y,z  0  -1  0  1  '1_455'  'O8_1_455'  O8  4  1  455
   x,y,z  0  1  0  1  '1_655'  'O8_1_655'  O8  4  1  655
   x,y,z  0  2  0  1  '1_755'  'O8_1_755'  O8  4  1  755
   x,y,z  0  3  0  1  '1_855'  'O8_1_855'  O8  4  1  855
   x,y,z  0  4  0  1  '1_955'  'O8_1_955'  O8  4  1  955
   -x,-y,-z  1  -4  -1  1  '3_164'  'O8_3_164'  O8  4  3  164
   -x,-y,-z  1  -3  -1  1  '3_264'  'O8_3_264'  O8  4  3  264
   -x,-y,-z  1  -2  -1  1  '3_364'  'O8_3_364'  O8  4  3  364
   -x,-y,-z  1  -1  -1  1  '3_464'  'O8_3_464'  O8  4  3  464
   -x,-y,-z  1  0  -1  1  '3_564'  'O8_3_564'  O8  4  3  564
   -x,-y,-z  1  1  -1  1  '3_664'  'O8_3_664'  O8  4  3  664
   -x,-y,-z  1  2  -1  1  '3_764'  'O8_3_764'  O8  4  3  764
   -x,-y,-z  1  3  -1  1  '3_864'  'O8_3_864'  O8  4  3  864
   -x,-y,-z  1  4  -1  1  '3_964'  'O8_3_964'  O8  4  3  964
   x,y,z  0  -4  0  1  '1_155'  'P1_1_155'  P1  4  1  155
   x,y,z  0  -3  0  1  '1_255'  'P1_1_255'  P1  4  1  255
   x,y,z  0  -2  0  1  '1_355'  'P1_1_355'  P1  4  1  355
   x,y,z  0  -1  0  1  '1_455'  'P1_1_455'  P1  4  1  455
   x,y,z  0  1  0  1  '1_655'  'P1_1_655'  P1  4  1  655
   x,y,z  0  2  0  1  '1_755'  'P1_1_755'  P1  4  1  755
   x,y,z  0  3  0  1  '1_855'  'P1_1_855'  P1  4  1  855
   x,y,z  0  4  0  1  '1_955'  'P1_1_955'  P1  4  1  955
   -x,-y,-z  1  -4  -1  1  '3_164'  'P1_3_164'  P1  4  3  164
   -x,-y,-z  1  -3  -1  1  '3_264'  'P1_3_264'  P1  4  3  264
   -x,-y,-z  1  -2  -1  1  '3_364'  'P1_3_364'  P1  4  3  364
   -x,-y,-z  1  -1  -1  1  '3_464'  'P1_3_464'  P1  4  3  464
   -x,-y,-z  1  0  -1  1  '3_564'  'P1_3_564'  P1  4  3  564
   -x,-y,-z  1  1  -1  1  '3_664'  'P1_3_664'  P1  4  3  664
   -x,-y,-z  1  2  -1  1  '3_764'  'P1_3_764'  P1  4  3  764
   -x,-y,-z  1  3  -1  1  '3_864'  'P1_3_864'  P1  4  3  864
   -x,-y,-z  1  4  -1  1  '3_964'  'P1_3_964'  P1  4  3  964
   x,y,z  1  -4  0  1  '1_165'  'P2_1_165'  P2  4  1  165
   x,y,z  1  -3  0  1  '1_265'  'P2_1_265'  P2  4  1  265
   x,y,z  1  -2  0  1  '1_365'  'P2_1_365'  P2  4  1  365
   x,y,z  1  -1  0  1  '1_465'  'P2_1_465'  P2  4  1  465
   x,y,z  1  0  0  1  '1_565'  'P2_1_565'  P2  4  1  565
   x,y,z  1  1  0  1  '1_665'  'P2_1_665'  P2  4  1  665
   x,y,z  1  2  0  1  '1_765'  'P2_1_765'  P2  4  1  765
   x,y,z  1  3  0  1  '1_865'  'P2_1_865'  P2  4  1  865
   x,y,z  1  4  0  1  '1_965'  'P2_1_965'  P2  4  1  965
   -x,-y,-z  0  -4  -1  1  '3_154'  'P2_3_154'  P2  4  3  154
   -x,-y,-z  0  -3  -1  1  '3_254'  'P2_3_254'  P2  4  3  254
   -x,-y,-z  0  -2  -1  1  '3_354'  'P2_3_354'  P2  4  3  354
   -x,-y,-z  0  -1  -1  1  '3_454'  'P2_3_454'  P2  4  3  454
   -x,-y,-z  0  0  -1  1  '3_554'  'P2_3_554'  P2  4  3  554
   -x,-y,-z  0  1  -1  1  '3_654'  'P2_3_654'  P2  4  3  654
   -x,-y,-z  0  2  -1  1  '3_754'  'P2_3_754'  P2  4  3  754
   -x,-y,-z  0  3  -1  1  '3_854'  'P2_3_854'  P2  4  3  854
   -x,-y,-z  0  4  -1  1  '3_954'  'P2_3_954'  P2  4  3  954
   x,y,z  0  -4  -1  1  '1_154'  'Al1_1_154'  Al1  4  1  154
   x,y,z  0  -3  -1  1  '1_254'  'Al1_1_254'  Al1  4  1  254
   x,y,z  0  -2  -1  1  '1_354'  'Al1_1_354'  Al1  4  1  354
   x,y,z  0  -1  -1  1  '1_454'  'Al1_1_454'  Al1  4  1  454
   x,y,z  0  0  -1  1  '1_554'  'Al1_1_554'  Al1  4  1  554
   x,y,z  0  1  -1  1  '1_654'  'Al1_1_654'  Al1  4  1  654
   x,y,z  0  2  -1  1  '1_754'  'Al1_1_754'  Al1  4  1  754
   x,y,z  0  3  -1  1  '1_854'  'Al1_1_854'  Al1  4  1  854
   x,y,z  0  4  -1  1  '1_954'  'Al1_1_954'  Al1  4  1  954
   -x,-y,-z  1  -4  0  1  '3_165'  'Al1_3_165'  Al1  4  3  165
   -x,-y,-z  1  -3  0  1  '3_265'  'Al1_3_265'  Al1  4  3  265
   -x,-y,-z  1  -2  0  1  '3_365'  'Al1_3_365'  Al1  4  3  365
   -x,-y,-z  1  -1  0  1  '3_465'  'Al1_3_465'  Al1  4  3  465
   -x,-y,-z  1  0  0  1  '3_565'  'Al1_3_565'  Al1  4  3  565
   -x,-y,-z  1  1  0  1  '3_665'  'Al1_3_665'  Al1  4  3  665
   -x,-y,-z  1  2  0  1  '3_765'  'Al1_3_765'  Al1  4  3  765
   -x,-y,-z  1  3  0  1  '3_865'  'Al1_3_865'  Al1  4  3  865
   -x,-y,-z  1  4  0  1  '3_965'  'Al1_3_965'  Al1  4  3  965
 
loop_
  _tcod_file_id
  _tcod_file_name
  _tcod_file_md5sum
  _tcod_file_sha1sum
  _tcod_file_URI
  _tcod_file_role
  _tcod_file_contents
  _tcod_file_content_encoding
   0  '0/_aiidasubmit.sh'  82abfd757c8f758ab140dad18bfefc11
   7cb42831f2111cf9e4ea046045593fa4fb6629a5
   ?
   script
  
;H4sICMYnf1QC/3RtcDN4NnNtUwBdUMtSwzAMvPsrTHvIyXEePdAOYQa4cId7x0lUYpLYwZIZ+HuU
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/FZGGBr930Ss7TVvPShsgp0IdWNPR55DEGaTOUp15icTcMbuZHLOPbU85f6v4CQTWVxKjiwRP+cl
2QLVAQAA
;
  
  
   gzip+base64
   1  0/aiida.in  b6ba524b9c9139ad09956d783d103c12
   2b6feae22d5b16ca76b9499210c82d9be0a6ef74
   ?
   input
  
;H4sICMYnf1QC/3RtcGdIVnVKdQCtWmtz27rR/q5fgZnTGcmTiCIAgiDyvm3HlpOx2yT25NLp9JxT
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Q1+0uABxwjU4r8Fd4x5Y6HutbQJt8/WvVODe7fDmTGHdvj4VaJz+DQ2VrqP6fyELt71wVaT454Yw
wsnFZ7j9BEy6+hdfAf7F0X8BVvtMNzwvAAA=
;
  
  
   gzip+base64
   2  '0/.aiida/job_tmpl.json'  9f64a3a001e80363fe3cb81ddc560042
   c3bda3b3dac75f14e2cecf5203e1727c8dc5d51c
   ?
   input
  
;H4sICMYnf1QC/3RtcEJ1a1ZfSwB1UV1PAyEQ/CsXnqXnqQ/Wv2INobD1sLCQBfxI4393wXp6TXy5
S2Zmd2eGk3AhRSoqf2QF+OooYgAs4mEoVOFqEC/RoTo4D5kxrN4zlggSoFUF3ptShGirh8FHbQeH
BXxIbrzbTJvbHe7wzNYMwzjHAGMAOn7k8RvvqxdRX2GilSVGn8eb7c1W8MFcLBAp1AHaPe2c1RtG
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8I1uL0LAVaHee/jjqS1eGZK393fnJ+cIa68OxecXukhNBbICAAA=
;
  
  
   gzip+base64
   3  0/.aiida/calcinfo.json  aec66bb94b31857ca479ff02f6a803db
   4e4079b2cf14f26f30958e65c4f2465e33498105
   ?
   input
  
;H4sICMYnf1QC/3RtcDBBS0RMNABlj+EKwjAMhF9F+tuMualDX0WkxDbTQNeNtBVFfHc7HYLz530X
cncPJRSF6UracYhqvzgoZLZY9Cmq5WISJDIKHcyFbHIkEKLNF0W8xX8jX7+NY3aEuj6SNv1w/yaM
3PUG3T/+vNUeO8rot8rn88ybmpnOOvakBxTswnsGQAoEA4mDTAPJ1GeaG9ifHbXsaF6A/SyD/RiR
EtuRlesNUo07KE1lYb2qWziVbQnN1lbY7oxt6pN6vgCudfAhWQEAAA==
;
  
  
   gzip+base64
   4  0/aiida.err  d41d8cd98f00b204e9800998ecf8427e
   da39a3ee5e6b4b0d3255bfef95601890afd80709
   ?
   output
   ''
   .
   5  0/aiida.out  cea462a356b150d9c6f5468fbab725c1
   290b23a67fb98d4f1a08006fab29ec89719e2a08
   ?
   output
  
;H4sICMYnf1QC/3RtcGljVk5QMwCdWltz2ziyftevwJvkmpgmAAIgZi+nfEnK3p3YriSztbUzsyxa
oi2epUgtSSVRHvLbtxsASVCi/JA8WGL3141Go2+gskrbNKGh+TcrqmqbzJLt7qlI0l27ruqkTDfZ
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f/5yrtXMWpmWL0WWpAWE7lGQhoE5kgH2lLXpcSyLgEYqXNDwbAR+STebV3V2Ht+Vedsk//JhkYMU
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valgRYiJOnH1rjHSN3eX7x/ub8jiKqtfsnpdPT9b8bE0FnXIZRv4UInrHMozcUv7wKatwT5w78gV
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   gzip+base64
   6  '1/_aiidasubmit.sh'  c7a10f6f09dcee667d34873d8ba26a8e
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   ?
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;
  
  
   gzip+base64
   7  1/aiida.in  cea462a356b150d9c6f5468fbab725c1
   290b23a67fb98d4f1a08006fab29ec89719e2a08
   ?
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   gzip+base64
   8  '1/.aiida/job_tmpl.json'  b4f809324a06f1759fa8eb41ff811e66
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   ?
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k+ACAAA=
;
  
  
   gzip+base64
   9  1/.aiida/calcinfo.json  c12ab7f04d013db7dbd489677868901f
   a374c3cfa06f2782ca51a0a376a9523b327636ff
   ?
   input
  
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d0h5AQAA
;
  
  
   gzip+base64
   10  1/aiida.err  d41d8cd98f00b204e9800998ecf8427e
   da39a3ee5e6b4b0d3255bfef95601890afd80709
   ?
   output
   ''
   .
   11  1/aiida.out  1251a57106f3b475d5d976343996124d
   723d198f48d56102cb775afe9fcdeec13c049bba
   ?
   output
  
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;
  
  
   gzip+base64
   12  '2/_aiidasubmit.sh'  8a86fe1511ed096473f56323a69622cf
   e3c5904b3154ad6a56025f3df2fd992bdccae5af
   ?
   script
  
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;
  
  
   gzip+base64
   13  2/aiida.in  1251a57106f3b475d5d976343996124d
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   ?
   input
  
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YvIHglzU6KSuqGP0rqKE4kV/riihYtFfppW5TIl3FSXUJvHTpPKfEvvR061rAAA=
;
  
  
   gzip+base64
   14  '2/.aiida/job_tmpl.json'  8ada15af8cd8d37d1fedda55af1b4bca
   d40a321867e561a1e8c6f2649c08338476d89fbb
   ?
   input
  
;H4sICMYnf1QC/3RtcHdscV9YSgB1kdFu2zAMRX/F0HMdN02BNf2VdhAUiZm5SJRASVmKoP9eSs28
usBebOCSvPeQuioMKXLR+S1roDNypABU1PNQuMLdoH5HJH1ED1k0qt6LlhgSkNMFLq1Theiqh8FH
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dClh4mizluv8rbdyex4GuRuZg4cvTM14BTTu9j9u7y8rrFmR1PsHGgxgwr8CAAA=
;
  
  
   gzip+base64
   15  2/.aiida/calcinfo.json  43b2824605f778499263cd3fd0fab35d
   48d8568bc1a46b43bff0fd3a2c68b2330dc1d73e
   ?
   input
  
;H4sICMYnf1QC/3RtcDBiOFpraABtj10KwjAQhK9S8mxKWkJbvYpIiMmqC2la8iOKeHeTtohWH/eb
3dmZB3EQHMIVhEEfyK7YE4moZTnEQDbFMoBzefCjwYkKry6gowFHfdBptQy3P0I6m4RDUhz0QwCh
hvH+fpW5GZQ0v3i2FVb2kNB3ptl5pS0RVa8NWhCjdLL3Ux9K090YA9X40WLOtHT3aM8GTmhgHQLt
6g/a7BEj6sxqDhVn0FHJK6C8Vi09gtzSlmnGqqZlTafJ8wUIv536ZgEAAA==
;
  
  
   gzip+base64
   16  2/aiida.err  88f653e4d2ef22250ee8fb97d3bc975e
   306789372176a802e27e8f1ef7aafd4da36ad524
   ?
   output
  
;split/1000000_molecule_0.cif
split/1000000_molecule_1.cif

;
   
   .
   17  '2/split/1000000_molecule_1.cif'  b8e0558daccbe1945c0bac425e832e3d
   0b1aaa29181dc0c21c1cf20311e89d95c0e0aee6
   ?
   output
  
;H4sICMYnf1QC/3RtcGdpOTNGSwCFl0tv2zgQx+/+FLzZBRxBJPVi95Q6Bby7aBp0H4d2C4KWaVtb
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KQn3EAAA
;
  
  
   gzip+base64
   18  '2/split/1000000_molecule_0.cif'  4b9ad507dae17eb838f111ac6bbcba3b
   e8b03f22db2c3a64252563bc8c0632cb9ffe9d44
   ?
   output
  
;H4sICMYnf1QC/3RtcEQxTUtPSQCVm8tu48gVhvd+Cu7sBmyBdS9OVo3eOAl62phcFjMZELRM28pQ
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;
  
  
   gzip+base64
   19  2/aiida.out  d41d8cd98f00b204e9800998ecf8427e
   da39a3ee5e6b4b0d3255bfef95601890afd80709
   ?
   output
   ''
   .
   20  aiida/metadata.json  2591d6d0212f997641028d68b74846d8
   efa0ae58d04b3cfb6990976bb75ecfd8df5dcfdf
   ?
   ?
  
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;
  
  
   gzip+base64
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   ?
   ?
  
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;
  
  
   gzip+base64
   22  aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/aiida.err
   d41d8cd98f00b204e9800998ecf8427e
   da39a3ee5e6b4b0d3255bfef95601890afd80709
   ?
   ?
   ''
   .
   23
  
  'aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/_scheduler-stdout.txt'
   d41d8cd98f00b204e9800998ecf8427e
   da39a3ee5e6b4b0d3255bfef95601890afd80709
   ?
   ?
   ''
   .
   24
  
  'aiida/nodes/4f/9b/2efe-be20-4098-b6a5-1d9d7beb43c3/path/_scheduler-stderr.txt'
   d41d8cd98f00b204e9800998ecf8427e
   da39a3ee5e6b4b0d3255bfef95601890afd80709
   ?
   ?
   ''
   .
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   ?
   ?
  
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   ''
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   ?
   ?
  
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;
  
  
   gzip+base64
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   ?
   ?
  
;split/1000000_molecule_0.cif
split/1000000_molecule_1.cif

;
   
   .
   33
  
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  'aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/_scheduler-stdout.txt'
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   ?
   ?
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   36
  
  'aiida/nodes/67/49/e87e-41c4-41a3-846f-fb3e8f9bb77b/path/_scheduler-stderr.txt'
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   ?
   ?
   ''
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BAM5atcJHDmQoa1dDZ5butE03KMgOFD2lKkhI9AW+EfW0VOm27rZSnKr0m/9RgeMniOChmGUGest
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Q5t4usOo9PGVB7gF5gUX/gsCXWWo9B2/CTSdu4ihBig9g/HhuYk+yEkWCk80OB9xTBocQ5w5IdBF
Q1+0uABxwjU4r8Fd4x5Y6HutbQJt8/WvVODe7fDmTGHdvj4VaJz+DQ2VrqP6fyELt71wVaT454Yw
wsnFZ7j9BEy6+hdfAf7F0X8BVvtMNzwvAAA=
;
  
  
   gzip+base64
   51
  
  'aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/.aiida/job_tmpl.json'
   9f64a3a001e80363fe3cb81ddc560042
   c3bda3b3dac75f14e2cecf5203e1727c8dc5d51c
   ?
   ?
  
;H4sICMYnf1QC/3RtcEdPQ0xHbgB1UV1PAyEQ/CsXnqXnqQ/Wv2INobD1sLCQBfxI4393wXp6TXy5
S2Zmd2eGk3AhRSoqf2QF+OooYgAs4mEoVOFqEC/RoTo4D5kxrN4zlggSoFUF3ptShGirh8FHbQeH
BXxIbrzbTJvbHe7wzNYMwzjHAGMAOn7k8RvvqxdRX2GilSVGn8eb7c1W8MFcLBAp1AHaPe2c1RtG
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8I1uL0LAVaHee/jjqS1eGZK393fnJ+cIa68OxecXukhNBbICAAA=
;
  
  
   gzip+base64
   52
  
  'aiida/nodes/04/5a/e3a9-0c2d-413f-b0f0-76d2af9cd73b/raw_input/.aiida/calcinfo.json'
   aec66bb94b31857ca479ff02f6a803db
   4e4079b2cf14f26f30958e65c4f2465e33498105
   ?
   ?
  
;H4sICMYnf1QC/3RtcGlOd2xjNwBlj+EKwjAMhF9F+tuMualDX0WkxDbTQNeNtBVFfHc7HYLz530X
cncPJRSF6UracYhqvzgoZLZY9Cmq5WISJDIKHcyFbHIkEKLNF0W8xX8jX7+NY3aEuj6SNv1w/yaM
3PUG3T/+vNUeO8rot8rn88ybmpnOOvakBxTswnsGQAoEA4mDTAPJ1GeaG9ifHbXsaF6A/SyD/RiR
EtuRlesNUo07KE1lYb2qWziVbQnN1lbY7oxt6pN6vgCudfAhWQEAAA==
;
  
  
   gzip+base64
 
loop_
  _atom_site_label
  _atom_site_fract_z
  _atom_site_type_symbol
  _atom_site_calc_flag
  _atom_site_occupancy
  _atom_site_refinement_flags
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_U_iso_or_equiv
   O1  0.066700  O  d  1  .  0.168400  0.972400  .0379(7)
   O6  0.092700  O  d  1  .  0.511600  0.699300  .0466(8)
   O7  0.214900  O  d  1  .  0.106700  0.981400  .0521(9)
   O8  0.058500  O  d  1  .  0.670100  0.895600  .0398(8)
   P1  0.023960  P  d  1  .  0.559090  0.784020  .0280(3)
   'H2_1_154'  -0.064900  H  calc  1  R  -3.287700  0.757100  .056
   'H2_1_254'  -0.064900  H  calc  1  R  -2.287700  0.757100  .056
   'H2_1_354'  -0.064900  H  calc  1  R  -1.287700  0.757100  .056
   'H2_1_454'  -0.064900  H  calc  1  R  -0.287700  0.757100  .056
   'H2_1_554'  -0.064900  H  calc  1  R  0.712300  0.757100  .056
   'H2_1_654'  -0.064900  H  calc  1  R  1.712300  0.757100  .056
   'H2_1_754'  -0.064900  H  calc  1  R  2.712300  0.757100  .056
   'H2_1_854'  -0.064900  H  calc  1  R  3.712300  0.757100  .056
   'H2_1_954'  -0.064900  H  calc  1  R  4.712300  0.757100  .056
   'H2_3_165'  0.064900  H  calc  1  R  -3.712300  1.242900  .056
   'H2_3_265'  0.064900  H  calc  1  R  -2.712300  1.242900  .056
   'H2_3_365'  0.064900  H  calc  1  R  -1.712300  1.242900  .056
   'H2_3_465'  0.064900  H  calc  1  R  -0.712300  1.242900  .056
   'H2_3_565'  0.064900  H  calc  1  R  0.287700  1.242900  .056
   'H2_3_665'  0.064900  H  calc  1  R  1.287700  1.242900  .056
   'H2_3_765'  0.064900  H  calc  1  R  2.287700  1.242900  .056
   'H2_3_865'  0.064900  H  calc  1  R  3.287700  1.242900  .056
   'H2_3_965'  0.064900  H  calc  1  R  4.287700  1.242900  .056
   'O1_1_155'  0.066700  O  d  1  .  -3.831600  0.972400  .0379(7)
   'O1_1_255'  0.066700  O  d  1  .  -2.831600  0.972400  .0379(7)
   'O1_1_355'  0.066700  O  d  1  .  -1.831600  0.972400  .0379(7)
   'O1_1_455'  0.066700  O  d  1  .  -0.831600  0.972400  .0379(7)
   'O1_1_655'  0.066700  O  d  1  .  1.168400  0.972400  .0379(7)
   'O1_1_755'  0.066700  O  d  1  .  2.168400  0.972400  .0379(7)
   'O1_1_855'  0.066700  O  d  1  .  3.168400  0.972400  .0379(7)
   'O1_1_955'  0.066700  O  d  1  .  4.168400  0.972400  .0379(7)
   'O1_3_164'  -0.066700  O  d  1  .  -3.168400  1.027600  .0379(7)
   'O1_3_264'  -0.066700  O  d  1  .  -2.168400  1.027600  .0379(7)
   'O1_3_364'  -0.066700  O  d  1  .  -1.168400  1.027600  .0379(7)
   'O1_3_464'  -0.066700  O  d  1  .  -0.168400  1.027600  .0379(7)
   'O1_3_564'  -0.066700  O  d  1  .  0.831600  1.027600  .0379(7)
   'O1_3_664'  -0.066700  O  d  1  .  1.831600  1.027600  .0379(7)
   'O1_3_764'  -0.066700  O  d  1  .  2.831600  1.027600  .0379(7)
   'O1_3_864'  -0.066700  O  d  1  .  3.831600  1.027600  .0379(7)
   'O1_3_964'  -0.066700  O  d  1  .  4.831600  1.027600  .0379(7)
   'O2_1_154'  -0.038600  O  d  1  .  -3.343600  0.707800  .0373(7)
   'O2_1_254'  -0.038600  O  d  1  .  -2.343600  0.707800  .0373(7)
   'O2_1_354'  -0.038600  O  d  1  .  -1.343600  0.707800  .0373(7)
   'O2_1_454'  -0.038600  O  d  1  .  -0.343600  0.707800  .0373(7)
   'O2_1_554'  -0.038600  O  d  1  .  0.656400  0.707800  .0373(7)
   'O2_1_654'  -0.038600  O  d  1  .  1.656400  0.707800  .0373(7)
   'O2_1_754'  -0.038600  O  d  1  .  2.656400  0.707800  .0373(7)
   'O2_1_854'  -0.038600  O  d  1  .  3.656400  0.707800  .0373(7)
   'O2_1_954'  -0.038600  O  d  1  .  4.656400  0.707800  .0373(7)
   'O2_3_165'  0.038600  O  d  1  .  -3.656400  1.292200  .0373(7)
   'O2_3_265'  0.038600  O  d  1  .  -2.656400  1.292200  .0373(7)
   'O2_3_365'  0.038600  O  d  1  .  -1.656400  1.292200  .0373(7)
   'O2_3_465'  0.038600  O  d  1  .  -0.656400  1.292200  .0373(7)
   'O2_3_565'  0.038600  O  d  1  .  0.343600  1.292200  .0373(7)
   'O2_3_665'  0.038600  O  d  1  .  1.343600  1.292200  .0373(7)
   'O2_3_765'  0.038600  O  d  1  .  2.343600  1.292200  .0373(7)
   'O2_3_865'  0.038600  O  d  1  .  3.343600  1.292200  .0373(7)
   'O2_3_965'  0.038600  O  d  1  .  4.343600  1.292200  .0373(7)
   'O3_1_154'  -0.104800  O  d  1  .  -3.911800  0.911600  .0381(7)
   'O3_1_254'  -0.104800  O  d  1  .  -2.911800  0.911600  .0381(7)
   'O3_1_354'  -0.104800  O  d  1  .  -1.911800  0.911600  .0381(7)
   'O3_1_454'  -0.104800  O  d  1  .  -0.911800  0.911600  .0381(7)
   'O3_1_554'  -0.104800  O  d  1  .  0.088200  0.911600  .0381(7)
   'O3_1_654'  -0.104800  O  d  1  .  1.088200  0.911600  .0381(7)
   'O3_1_754'  -0.104800  O  d  1  .  2.088200  0.911600  .0381(7)
   'O3_1_854'  -0.104800  O  d  1  .  3.088200  0.911600  .0381(7)
   'O3_1_954'  -0.104800  O  d  1  .  4.088200  0.911600  .0381(7)
   'O3_3_165'  0.104800  O  d  1  .  -3.088200  1.088400  .0381(7)
   'O3_3_265'  0.104800  O  d  1  .  -2.088200  1.088400  .0381(7)
   'O3_3_365'  0.104800  O  d  1  .  -1.088200  1.088400  .0381(7)
   'O3_3_465'  0.104800  O  d  1  .  -0.088200  1.088400  .0381(7)
   'O3_3_565'  0.104800  O  d  1  .  0.911800  1.088400  .0381(7)
   'O3_3_665'  0.104800  O  d  1  .  1.911800  1.088400  .0381(7)
   'O3_3_765'  0.104800  O  d  1  .  2.911800  1.088400  .0381(7)
   'O3_3_865'  0.104800  O  d  1  .  3.911800  1.088400  .0381(7)
   'O3_3_965'  0.104800  O  d  1  .  4.911800  1.088400  .0381(7)
   'O4_1_165'  0.145900  O  d  1  .  -3.801800  1.179300  .0467(9)
   'O4_1_265'  0.145900  O  d  1  .  -2.801800  1.179300  .0467(9)
   'O4_1_365'  0.145900  O  d  1  .  -1.801800  1.179300  .0467(9)
   'O4_1_465'  0.145900  O  d  1  .  -0.801800  1.179300  .0467(9)
   'O4_1_565'  0.145900  O  d  1  .  0.198200  1.179300  .0467(9)
   'O4_1_665'  0.145900  O  d  1  .  1.198200  1.179300  .0467(9)
   'O4_1_765'  0.145900  O  d  1  .  2.198200  1.179300  .0467(9)
   'O4_1_865'  0.145900  O  d  1  .  3.198200  1.179300  .0467(9)
   'O4_1_965'  0.145900  O  d  1  .  4.198200  1.179300  .0467(9)
   'O4_3_154'  -0.145900  O  d  1  .  -3.198200  0.820700  .0467(9)
   'O4_3_254'  -0.145900  O  d  1  .  -2.198200  0.820700  .0467(9)
   'O4_3_354'  -0.145900  O  d  1  .  -1.198200  0.820700  .0467(9)
   'O4_3_454'  -0.145900  O  d  1  .  -0.198200  0.820700  .0467(9)
   'O4_3_554'  -0.145900  O  d  1  .  0.801800  0.820700  .0467(9)
   'O4_3_654'  -0.145900  O  d  1  .  1.801800  0.820700  .0467(9)
   'O4_3_754'  -0.145900  O  d  1  .  2.801800  0.820700  .0467(9)
   'O4_3_854'  -0.145900  O  d  1  .  3.801800  0.820700  .0467(9)
   'O4_3_954'  -0.145900  O  d  1  .  4.801800  0.820700  .0467(9)
   'O5_1_154'  -0.025200  O  d  1  .  -3.599500  0.840800  .0435(8)
   'O5_1_254'  -0.025200  O  d  1  .  -2.599500  0.840800  .0435(8)
   'O5_1_354'  -0.025200  O  d  1  .  -1.599500  0.840800  .0435(8)
   'O5_1_454'  -0.025200  O  d  1  .  -0.599500  0.840800  .0435(8)
   'O5_1_554'  -0.025200  O  d  1  .  0.400500  0.840800  .0435(8)
   'O5_1_654'  -0.025200  O  d  1  .  1.400500  0.840800  .0435(8)
   'O5_1_754'  -0.025200  O  d  1  .  2.400500  0.840800  .0435(8)
   'O5_1_854'  -0.025200  O  d  1  .  3.400500  0.840800  .0435(8)
   'O5_1_954'  -0.025200  O  d  1  .  4.400500  0.840800  .0435(8)
   'O5_3_165'  0.025200  O  d  1  .  -3.400500  1.159200  .0435(8)
   'O5_3_265'  0.025200  O  d  1  .  -2.400500  1.159200  .0435(8)
   'O5_3_365'  0.025200  O  d  1  .  -1.400500  1.159200  .0435(8)
   'O5_3_465'  0.025200  O  d  1  .  -0.400500  1.159200  .0435(8)
   'O5_3_565'  0.025200  O  d  1  .  0.599500  1.159200  .0435(8)
   'O5_3_665'  0.025200  O  d  1  .  1.599500  1.159200  .0435(8)
   'O5_3_765'  0.025200  O  d  1  .  2.599500  1.159200  .0435(8)
   'O5_3_865'  0.025200  O  d  1  .  3.599500  1.159200  .0435(8)
   'O5_3_965'  0.025200  O  d  1  .  4.599500  1.159200  .0435(8)
   'O6_1_155'  0.092700  O  d  1  .  -3.488400  0.699300  .0466(8)
   'O6_1_255'  0.092700  O  d  1  .  -2.488400  0.699300  .0466(8)
   'O6_1_355'  0.092700  O  d  1  .  -1.488400  0.699300  .0466(8)
   'O6_1_455'  0.092700  O  d  1  .  -0.488400  0.699300  .0466(8)
   'O6_1_655'  0.092700  O  d  1  .  1.511600  0.699300  .0466(8)
   'O6_1_755'  0.092700  O  d  1  .  2.511600  0.699300  .0466(8)
   'O6_1_855'  0.092700  O  d  1  .  3.511600  0.699300  .0466(8)
   'O6_1_955'  0.092700  O  d  1  .  4.511600  0.699300  .0466(8)
   'O6_3_164'  -0.092700  O  d  1  .  -3.511600  1.300700  .0466(8)
   'O6_3_264'  -0.092700  O  d  1  .  -2.511600  1.300700  .0466(8)
   'O6_3_364'  -0.092700  O  d  1  .  -1.511600  1.300700  .0466(8)
   'O6_3_464'  -0.092700  O  d  1  .  -0.511600  1.300700  .0466(8)
   'O6_3_564'  -0.092700  O  d  1  .  0.488400  1.300700  .0466(8)
   'O6_3_664'  -0.092700  O  d  1  .  1.488400  1.300700  .0466(8)
   'O6_3_764'  -0.092700  O  d  1  .  2.488400  1.300700  .0466(8)
   'O6_3_864'  -0.092700  O  d  1  .  3.488400  1.300700  .0466(8)
   'O6_3_964'  -0.092700  O  d  1  .  4.488400  1.300700  .0466(8)
   'O7_1_155'  0.214900  O  d  1  .  -3.893300  0.981400  .0521(9)
   'O7_1_255'  0.214900  O  d  1  .  -2.893300  0.981400  .0521(9)
   'O7_1_355'  0.214900  O  d  1  .  -1.893300  0.981400  .0521(9)
   'O7_1_455'  0.214900  O  d  1  .  -0.893300  0.981400  .0521(9)
   'O7_1_655'  0.214900  O  d  1  .  1.106700  0.981400  .0521(9)
   'O7_1_755'  0.214900  O  d  1  .  2.106700  0.981400  .0521(9)
   'O7_1_855'  0.214900  O  d  1  .  3.106700  0.981400  .0521(9)
   'O7_1_955'  0.214900  O  d  1  .  4.106700  0.981400  .0521(9)
   'O7_3_164'  -0.214900  O  d  1  .  -3.106700  1.018600  .0521(9)
   'O7_3_264'  -0.214900  O  d  1  .  -2.106700  1.018600  .0521(9)
   'O7_3_364'  -0.214900  O  d  1  .  -1.106700  1.018600  .0521(9)
   'O7_3_464'  -0.214900  O  d  1  .  -0.106700  1.018600  .0521(9)
   'O7_3_564'  -0.214900  O  d  1  .  0.893300  1.018600  .0521(9)
   'O7_3_664'  -0.214900  O  d  1  .  1.893300  1.018600  .0521(9)
   'O7_3_764'  -0.214900  O  d  1  .  2.893300  1.018600  .0521(9)
   'O7_3_864'  -0.214900  O  d  1  .  3.893300  1.018600  .0521(9)
   'O7_3_964'  -0.214900  O  d  1  .  4.893300  1.018600  .0521(9)
   'O8_1_155'  0.058500  O  d  1  .  -3.329900  0.895600  .0398(8)
   'O8_1_255'  0.058500  O  d  1  .  -2.329900  0.895600  .0398(8)
   'O8_1_355'  0.058500  O  d  1  .  -1.329900  0.895600  .0398(8)
   'O8_1_455'  0.058500  O  d  1  .  -0.329900  0.895600  .0398(8)
   'O8_1_655'  0.058500  O  d  1  .  1.670100  0.895600  .0398(8)
   'O8_1_755'  0.058500  O  d  1  .  2.670100  0.895600  .0398(8)
   'O8_1_855'  0.058500  O  d  1  .  3.670100  0.895600  .0398(8)
   'O8_1_955'  0.058500  O  d  1  .  4.670100  0.895600  .0398(8)
   'O8_3_164'  -0.058500  O  d  1  .  -3.670100  1.104400  .0398(8)
   'O8_3_264'  -0.058500  O  d  1  .  -2.670100  1.104400  .0398(8)
   'O8_3_364'  -0.058500  O  d  1  .  -1.670100  1.104400  .0398(8)
   'O8_3_464'  -0.058500  O  d  1  .  -0.670100  1.104400  .0398(8)
   'O8_3_564'  -0.058500  O  d  1  .  0.329900  1.104400  .0398(8)
   'O8_3_664'  -0.058500  O  d  1  .  1.329900  1.104400  .0398(8)
   'O8_3_764'  -0.058500  O  d  1  .  2.329900  1.104400  .0398(8)
   'O8_3_864'  -0.058500  O  d  1  .  3.329900  1.104400  .0398(8)
   'O8_3_964'  -0.058500  O  d  1  .  4.329900  1.104400  .0398(8)
   'P1_1_155'  0.023960  P  d  1  .  -3.440910  0.784020  .0280(3)
   'P1_1_255'  0.023960  P  d  1  .  -2.440910  0.784020  .0280(3)
   'P1_1_355'  0.023960  P  d  1  .  -1.440910  0.784020  .0280(3)
   'P1_1_455'  0.023960  P  d  1  .  -0.440910  0.784020  .0280(3)
   'P1_1_655'  0.023960  P  d  1  .  1.559090  0.784020  .0280(3)
   'P1_1_755'  0.023960  P  d  1  .  2.559090  0.784020  .0280(3)
   'P1_1_855'  0.023960  P  d  1  .  3.559090  0.784020  .0280(3)
   'P1_1_955'  0.023960  P  d  1  .  4.559090  0.784020  .0280(3)
   'P1_3_164'  -0.023960  P  d  1  .  -3.559090  1.215980  .0280(3)
   'P1_3_264'  -0.023960  P  d  1  .  -2.559090  1.215980  .0280(3)
   'P1_3_364'  -0.023960  P  d  1  .  -1.559090  1.215980  .0280(3)
   'P1_3_464'  -0.023960  P  d  1  .  -0.559090  1.215980  .0280(3)
   'P1_3_564'  -0.023960  P  d  1  .  0.440910  1.215980  .0280(3)
   'P1_3_664'  -0.023960  P  d  1  .  1.440910  1.215980  .0280(3)
   'P1_3_764'  -0.023960  P  d  1  .  2.440910  1.215980  .0280(3)
   'P1_3_864'  -0.023960  P  d  1  .  3.440910  1.215980  .0280(3)
   'P1_3_964'  -0.023960  P  d  1  .  4.440910  1.215980  .0280(3)
   'P2_1_165'  0.134850  P  d  1  .  -3.903540  1.055630  .0290(3)
   'P2_1_265'  0.134850  P  d  1  .  -2.903540  1.055630  .0290(3)
   'P2_1_365'  0.134850  P  d  1  .  -1.903540  1.055630  .0290(3)
   'P2_1_465'  0.134850  P  d  1  .  -0.903540  1.055630  .0290(3)
   'P2_1_565'  0.134850  P  d  1  .  0.096460  1.055630  .0290(3)
   'P2_1_665'  0.134850  P  d  1  .  1.096460  1.055630  .0290(3)
   'P2_1_765'  0.134850  P  d  1  .  2.096460  1.055630  .0290(3)
   'P2_1_865'  0.134850  P  d  1  .  3.096460  1.055630  .0290(3)
   'P2_1_965'  0.134850  P  d  1  .  4.096460  1.055630  .0290(3)
   'P2_3_154'  -0.134850  P  d  1  .  -3.096460  0.944370  .0290(3)
   'P2_3_254'  -0.134850  P  d  1  .  -2.096460  0.944370  .0290(3)
   'P2_3_354'  -0.134850  P  d  1  .  -1.096460  0.944370  .0290(3)
   'P2_3_454'  -0.134850  P  d  1  .  -0.096460  0.944370  .0290(3)
   'P2_3_554'  -0.134850  P  d  1  .  0.903540  0.944370  .0290(3)
   'P2_3_654'  -0.134850  P  d  1  .  1.903540  0.944370  .0290(3)
   'P2_3_754'  -0.134850  P  d  1  .  2.903540  0.944370  .0290(3)
   'P2_3_854'  -0.134850  P  d  1  .  3.903540  0.944370  .0290(3)
   'P2_3_954'  -0.134850  P  d  1  .  4.903540  0.944370  .0290(3)
   'Al1_1_154'  -0.029950  Al  d  1  .  -3.752770  0.959280  .0246(4)
   'Al1_1_254'  -0.029950  Al  d  1  .  -2.752770  0.959280  .0246(4)
   'Al1_1_354'  -0.029950  Al  d  1  .  -1.752770  0.959280  .0246(4)
   'Al1_1_454'  -0.029950  Al  d  1  .  -0.752770  0.959280  .0246(4)
   'Al1_1_554'  -0.029950  Al  d  1  .  0.247230  0.959280  .0246(4)
   'Al1_1_654'  -0.029950  Al  d  1  .  1.247230  0.959280  .0246(4)
   'Al1_1_754'  -0.029950  Al  d  1  .  2.247230  0.959280  .0246(4)
   'Al1_1_854'  -0.029950  Al  d  1  .  3.247230  0.959280  .0246(4)
   'Al1_1_954'  -0.029950  Al  d  1  .  4.247230  0.959280  .0246(4)
   'Al1_3_165'  0.029950  Al  d  1  .  -3.247230  1.040720  .0246(4)
   'Al1_3_265'  0.029950  Al  d  1  .  -2.247230  1.040720  .0246(4)
   'Al1_3_365'  0.029950  Al  d  1  .  -1.247230  1.040720  .0246(4)
   'Al1_3_465'  0.029950  Al  d  1  .  -0.247230  1.040720  .0246(4)
   'Al1_3_565'  0.029950  Al  d  1  .  0.752770  1.040720  .0246(4)
   'Al1_3_665'  0.029950  Al  d  1  .  1.752770  1.040720  .0246(4)
   'Al1_3_765'  0.029950  Al  d  1  .  2.752770  1.040720  .0246(4)
   'Al1_3_865'  0.029950  Al  d  1  .  3.752770  1.040720  .0246(4)
   'Al1_3_965'  0.029950  Al  d  1  .  4.752770  1.040720  .0246(4)
 
loop_
  _symmetry_equiv_pos_as_xyz
   'x, y, z'
 
loop_
  _tcod_computation_step
  _tcod_computation_command
  _tcod_computation_uuid
  _tcod_computation_environment
  _tcod_computation_stdout
  _tcod_computation_stderr
   0  'cd 0; _aiidasubmit.sh'  045ae3a9-0c2d-413f-b0f0-76d2af9cd73b  ''  ''  ''
   1  'cd 1; _aiidasubmit.sh'  3e35c0b6-c486-4172-8f40-7e9391f89b02  ''  ''  ''
   2  'cd 2; _aiidasubmit.sh'  24e140e8-a41e-42c7-bea9-70d00167068d  ''  ''  ''
 
loop_
  _publ_author_name
   'Phan Thanh, S.'
   'Marrot, J.'
   'Renaudin, J.'
   'Maisonneuve, V.'
 
_audit_creation_method                  
 'Id: cif_molecule 2930 2014-11-03 09:23:46Z andrius'
_cell_angle_alpha                       90.00
_cell_angle_beta                        95.1470(10)
_cell_angle_gamma                       90.00
_cell_formula_units_Z                   1
_cell_length_a                          7.8783(2)
_cell_length_b                          10.46890(10)
_cell_length_c                          16.0680(4)
_cell_measurement_temperature           296(2)
_chemical_formula_sum                   'Al18 H18 O144 P36'
_cod_data_source_block                  1000000
_cod_data_source_file                   -
_cod_duplicate_entry                    2011331
_cod_molecule_is_polymer                yes
_cod_src_chemical_formula_moiety        '(C5 H16 N2 )[AlHP2 O8 ]'
_cod_src_chemical_formula_sum           'C5 H17 Al N2 O8 P2'
_cod_src_refine_ls_R_factor_all         .1073
_cod_src_refine_ls_R_factor_gt          .0584
_cod_src_refine_ls_wR_factor_all        .2069
_cod_src_refine_ls_wR_factor_ref        .1362
_diffrn_ambient_temperature             296(2)
_diffrn_radiation_monochromator         graphite
_diffrn_radiation_source                'fine-focus sealed tube'
_diffrn_radiation_type                  MoK\a
_diffrn_radiation_wavelength            .71073
_diffrn_reflns_limit_h_max              10
_diffrn_reflns_limit_h_min              -10
_diffrn_reflns_limit_k_max              13
_diffrn_reflns_limit_k_min              -14
_diffrn_reflns_limit_l_max              9
_diffrn_reflns_limit_l_min              -21
_diffrn_reflns_theta_max                29.83
_journal_issue                          9
_journal_name_full                      'Acta Crystallographica, Section C'
_journal_page_first                     1073
_journal_page_last                      1074
_journal_volume                         56
_journal_year                           2000
_publ_section_title                     
 
;
[H~3~N(CH~2~)~5~NH~3~].AlP~2~O~8~H, a one-dimensional aluminophosphate
;

_symmetry_space_group_name_H-M          'P 1'
_tcod_software_package                  'cif_split_primitive'

loop_
  _tcod_content_encoding_id
  _tcod_content_encoding_layer_id
  _tcod_content_encoding_layer_type
   gzip+base64  1  gzip
   gzip+base64  2  base64