blebleble
  1.000000
    5.0354990958999997    0.0000000000000000    0.0000000000000000
    0.0000000000000000    5.4267997742000000    0.0000000000000000
    0.0000000000000000   -3.0175643747000001   29.4583313627999992
   Fe    O
   16   24
Direct          Plane group = pg[0 1]                           N   SiteLabel  Layer  Linking     FreeDir
  0.7500010135000000  0.2902304975000011  0.0887224970000000    1      Fe_def      4        1        bulk
  0.7509939637328917  0.2855293520559579  0.3385527662298062    2      Fe_def      2        2        free
  0.2519859004657836  0.7866394780456909  0.2138922357701939    3      Fe_def      3        3        free
  0.2162396920816811  0.7966351157214139  0.4603278720961227    4     Fe_surf      1        4        free
  0.7490065502671084  0.7089455380118079  0.1614492307701939    5      Fe_def      3        5        free
  0.7370911474724077  0.7097949475164298  0.4129768122019388    6      Fe_def      1        6        free
  0.2499985100000002  0.2097724825000002  0.0362794995000000    7      Fe_def      4        7        bulk
  0.2519844104657837  0.2063702057133845  0.2867886933105816    8      Fe_def      2        8        free
  0.7480140995342165  0.2866394780456908  0.2138922357701939    9      Fe_def      3        3        free
  0.7837603079183189  0.2966351157214139  0.4603278720961227   10     Fe_surf      1        4        free
  0.2499989864999999  0.7902304975000010  0.0887224970000000   11      Fe_def      4        1        bulk
  0.2490060362671082  0.7855293520559579  0.3385527662298062   12      Fe_def      2        2        free
  0.7500014899999998  0.7097724825000002  0.0362794995000000   13      Fe_def      4        7        bulk
  0.7480155895342163  0.7063702057133845  0.2867886933105816   14      Fe_def      2        8        free
  0.2509934497328917  0.2089455380118079  0.1614492307701939   15      Fe_def      3        5        free
  0.2629088525275923  0.2097949475164298  0.4129768122019388   16      Fe_def      1        6        free
  0.8977367458355413  0.6539074768235795  0.2261851938105816   17       O_def      3        9        free
  0.9036944472328916  0.6340871628915252  0.4753365374596121   18      O_surf      1       10        free
  0.4027015120000000  0.1527030020000000  0.1006769980000000   19       O_def      4       11        bulk
  0.4007156115342165  0.1511434318574628  0.3511862068105815   20       O_def      2       12        free
  0.4406252045684330  0.4956783833913461  0.1880101918105816   21       O_def      3       13        free
  0.4455899557328918  0.4928648146242416  0.4412351009442653   22       O_def      1       14        free
  0.9445969999999999  0.0000020134999998  0.0625009980000000   23       O_def      4       15        bulk
  0.9426110995342165  0.9945682724016129  0.3126707442701940   24       O_def      2       16        free
  0.9017085617671082  0.3511741789558505  0.1496654595403877   25       O_def      3       17        free
  0.9046874124657832  0.3389853930852184  0.3976277002980614   26       O_def      1       18        free
  0.4027014970000000  0.8472999930000000  0.0243260000000000   27       O_def      4       19        bulk
  0.4027014970000001  0.8419606307354596  0.2746654595403878   28       O_def      2       20        free
  0.0982914382328918  0.8511741789558506  0.1496654595403877   29       O_def      3       17        free
  0.0953125875342167  0.8389853930852185  0.3976277002980614   30       O_def      1       18        free
  0.5972985030000000  0.3472999929999998  0.0243260000000000   31       O_def      4       19        bulk
  0.5972985029999999  0.3419606307354597  0.2746654595403878   32       O_def      2       20        free
  0.5593747954315671  0.9956783833913462  0.1880101918105816   33       O_def      3       13        free
  0.5544100442671082  0.9928648146242416  0.4412351009442653   34       O_def      1       14        free
  0.0554030000000000  0.5000020134999998  0.0625009980000000   35       O_def      4       15        bulk
  0.0573889004657835  0.4945682724016129  0.3126707442701940   36       O_def      2       16        free
  0.1022632541644587  0.1539074768235796  0.2261851938105816   37       O_def      3        9        free
  0.0963055527671084  0.1340871628915252  0.4753365374596121   38      O_surf      1       10        free
  0.5972984880000000  0.6527030020000000  0.1006769980000000   39       O_def      4       11        bulk
  0.5992843884657835  0.6511434318574627  0.3511862068105815   40       O_def      2       12        free
