vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 11 12 
  20:02:14 
 
 
  TMOS
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     800
       2
       2
        0.00001000
       -0.02000000
     800
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           10.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1000.00000000 
    
            0.10000000       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.47620692       0.57383973       0.45048616 
           0.47967884       0.75216613       0.40782884 
           0.56363132       0.54821939       0.61082484 
           0.55855855       0.47767246       0.31477499 
           0.30104505       0.51991197       0.46712541 
           0.40463370       0.77294562       0.28002165 
           0.48886371       0.62011818       0.71989850 
           0.62024415       0.35024014       0.36737840 
           0.22399096       0.62477026       0.54200566 
           0.36513153       0.87437896       0.27714795 
           0.32231589       0.70164570       0.27434753 
           0.47183570       0.75761047       0.19563368 
           0.41879926       0.55143270       0.76763401 
           0.43382528       0.70395400       0.67705874 
           0.55944294       0.65732980       0.79412898 
           0.72564922       0.36736589       0.38924416 
           0.61128332       0.27217129       0.29172710 
           0.56908462       0.31860225       0.45767255 
           0.29349389       0.69567501       0.58698840 
           0.16470888       0.57747596       0.62027742 
           0.15791552       0.67750648       0.47320531 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   TMOS
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       11
       40
       -1
       -1
        56.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       800
        -5
         2
        400.00000000
    
      T  
      F  
           0.00100000
           0.00000006
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       50
       50
       50
      100
      100
      100
    F  
  
  
      800
        2
        0
        2
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      800
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.77000000      0.32000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     12.01100000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        28.57142857
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
      800
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
        21 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    O    2
    C    3
    C    3
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      12H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          10.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1000.00000000 
   
           0.10000000       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.47620692       0.57383973       0.45048616 
          0.47967884       0.75216613       0.40782884 
          0.56363132       0.54821939       0.61082484 
          0.55855855       0.47767246       0.31477499 
          0.30104505       0.51991197       0.46712541 
          0.40463370       0.77294562       0.28002165 
          0.48886371       0.62011818       0.71989850 
          0.62024415       0.35024014       0.36737840 
          0.22399096       0.62477026       0.54200566 
          0.36513153       0.87437896       0.27714795 
          0.32231589       0.70164570       0.27434753 
          0.47183570       0.75761047       0.19563368 
          0.41879926       0.55143270       0.76763401 
          0.43382528       0.70395400       0.67705874 
          0.55944294       0.65732980       0.79412898 
          0.72564922       0.36736589       0.38924416 
          0.61128332       0.27217129       0.29172710 
          0.56908462       0.31860225       0.45767255 
          0.29349389       0.69567501       0.58698840 
          0.16470888       0.57747596       0.62027742 
          0.15791552       0.67750648       0.47320531 
  
 
 
  
       1.27    1.34
       1.38    1.45
   
         11.89623751 
       1527.30368060 
      -3553.79752211 
        180.52522946 
       1934.01822193 
      -1926.00377941 
          0.02379110 
       -346.52000941 
       2570.37101784 
        397.81686751 
        397.79307641 
        397.80893714 
   
  
  
       1.48    1.54
       1.48    1.54
   
        -14.32072017 
        -14.32460657 
        -14.32201564 
   
  
  
       1.29    1.35
       1.29    1.35
   
       -119.88186362 
       -119.91181256 
       -119.89184660 
   
  
  
       0.90    0.98
       0.90    0.98
   
       -124.51058603 
       -124.53942763 
       -124.52019989 
   
  
  
       0.80    0.85
       0.83    0.88
   
       -124.60919524 
       -124.63802505 
       -124.61880518 
   
  
  
       0.74    0.78
       0.86    0.91
   
       -115.29964296 
       -115.32567084 
       -115.30831892 
   
  
  
       0.81    0.86
       0.94    0.99
   
       -113.91717168 
       -113.93690776 
       -113.92375038 
   
  
  
       0.76    0.81
       0.89    0.94
   
       -113.52095016 
       -113.54734512 
       -113.52974848 
   
  
  
       0.83    0.88
       0.96    1.01
   
       -113.44379708 
       -113.46669228 
       -113.45142881 
   
  
  
       0.77    0.82
       0.90    0.95
   
       -113.41162913 
       -113.43627727 
       -113.41984518 
   
  
  
       0.71    0.76
       0.83    0.89
   
       -113.40823045 
       -113.43354434 
       -113.41666841 
   
  
  
       0.75    0.80
       0.88    0.93
   
       -113.40865646 
       -113.43488567 
       -113.41739953 
   
  
  
       0.85    0.90
       0.97    1.03
   
       -113.40984486 
       -113.43574663 
       -113.41847878 
   
  
  
       0.79    0.84
       0.91    0.97
   
       -113.40929043 
       -113.43419042 
       -113.41759043 
   
  
  
       0.66    0.71
       0.78    0.84
   
       -113.41677219 
       -113.44188618 
       -113.42514352 
   
  
  
       0.74    0.79
       0.87    0.92
   
       -113.41980916 
       -113.44463277 
       -113.42808369 
   
  
  
       0.69    0.74
       0.81    0.87
   
       -113.42317842 
       -113.44809183 
       -113.43148289 
   
  
  
       0.74    0.79
       0.87    0.92
   
       -113.42514085 
       -113.44992586 
       -113.43340252 
   
  
  
       0.70    0.75
       0.82    0.88
   
       -113.42615484 
       -113.45091637 
       -113.43440868 
   
  
  
       0.63    0.68
       0.76    0.81
   
       -113.42640193 
       -113.45117726 
       -113.43466037 
   
  
  
       0.58    0.63
       0.70    0.76
   
       -113.42650067 
       -113.45129584 
       -113.43476573 
   
  
  
       0.59    0.64
       0.72    0.77
   
       -113.42653743 
       -113.45132356 
       -113.43479948 
   
  
  
       0.58    0.63
       0.70    0.76
   
       -113.42656137 
       -113.45134691 
       -113.43482322 
   
  
  
       0.59    0.64
       0.69    0.73
   
         11.89623751 
       1527.30368060 
      -3761.70759449 
        192.11718113 
       3964.61840885 
      -3957.55984292 
          0.02478648 
       -660.49044619 
       2570.37101784 
       -113.42657120 
       -113.45135767 
       -113.43483336 
   
  
  
   
    
           10.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1000.00000000 
    
            0.10000000       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.47620692       0.57383973       0.45048616 
           0.47967884       0.75216613       0.40782884 
           0.56363132       0.54821939       0.61082484 
           0.55855855       0.47767246       0.31477499 
           0.30104505       0.51991197       0.46712541 
           0.40463370       0.77294562       0.28002165 
           0.48886371       0.62011818       0.71989850 
           0.62024415       0.35024014       0.36737840 
           0.22399096       0.62477026       0.54200566 
           0.36513153       0.87437896       0.27714795 
           0.32231589       0.70164570       0.27434753 
           0.47183570       0.75761047       0.19563368 
           0.41879926       0.55143270       0.76763401 
           0.43382528       0.70395400       0.67705874 
           0.55944294       0.65732980       0.79412898 
           0.72564922       0.36736589       0.38924416 
           0.61128332       0.27217129       0.29172710 
           0.56908462       0.31860225       0.45767255 
           0.29349389       0.69567501       0.58698840 
           0.16470888       0.57747596       0.62027742 
           0.15791552       0.67750648       0.47320531 
   
  
  
          0.38995058      -0.05756813      -0.29675394 
         -0.62767379      -3.13007524      -0.13577253 
         -2.15856601       1.21270790      -2.07751464 
         -1.07809507       0.65903735       3.29717477 
          2.42197899       1.82195768       0.30103193 
          0.65765566      -0.37146472       1.00659592 
          0.66905243      -0.68197684      -1.02620146 
         -0.56470946       1.21269438      -0.46415049 
          0.68073758      -0.83734263      -0.74547408 
         -0.01573177       0.30824966       0.23684280 
         -0.33582077      -0.12261260      -0.16020600 
          0.22353391      -0.04921230      -0.22917980 
         -0.15502008      -0.23153950       0.07814818 
          0.12696540       0.31965145       0.22731512 
          0.38715337      -0.02212547       0.01777658 
          0.26106250       0.14585832       0.05123209 
         -0.16265695       0.01854656      -0.32555629 
         -0.13522139      -0.23580980       0.37351061 
         -0.32415562       0.28096359       0.00128524 
         -0.08478732      -0.31853627       0.14163534 
         -0.17565219       0.07859663      -0.27173933 
  
  
        -18.06910467       3.73667022       1.70295242 
          3.73667022     -21.96200948      -1.24769785 
          1.70295241      -1.24769785     -22.86373491 
  
  
      -113.42657120 
      -113.45135767 
      -113.43483336 
  
     22.96   24.42
 
 
  
       0.61    0.66
       0.74    0.79
   
         11.89623751 
       1736.07420349 
      -3947.77353373 
        192.86565839 
       3964.63575324 
      -3957.57719411 
          0.02120261 
       -683.31857606 
       2570.37101784 
       -112.80523083 
       -112.82643344 
       -112.81229837 
   
  
  
       0.73    0.78
       0.84    0.90
   
       -115.12591988 
       -115.14432306 
       -115.13205427 
   
  
  
       0.77    0.82
       0.89    0.95
   
       -114.87698578 
       -114.89335654 
       -114.88244270 
   
  
  
       0.73    0.78
       0.85    0.91
   
       -114.82800606 
       -114.84200263 
       -114.83267159 
   
  
  
       0.73    0.77
       0.85    0.90
   
       -114.82841297 
       -114.84150038 
       -114.83277544 
   
  
  
       0.78    0.83
       0.90    0.95
   
       -114.82653074 
       -114.83910479 
       -114.83072209 
   
  
  
       0.70    0.75
       0.82    0.87
   
       -114.82685664 
       -114.83940135 
       -114.83103821 
   
  
  
       0.71    0.76
       0.83    0.88
   
       -114.82685883 
       -114.83931107 
       -114.83100958 
   
  
  
       0.73    0.78
       0.85    0.90
   
       -114.82701397 
       -114.83936743 
       -114.83113179 
   
  
  
       0.72    0.77
       0.84    0.89
   
       -114.82732487 
       -114.83960621 
       -114.83141865 
   
  
  
       0.68    0.73
       0.81    0.86
   
       -114.82756282 
       -114.83980984 
       -114.83164516 
   
  
  
       0.60    0.65
       0.72    0.78
   
       -114.82772721 
       -114.83996962 
       -114.83180801 
   
  
  
       0.68    0.73
       0.80    0.85
   
       -114.82781566 
       -114.84005493 
       -114.83189542 
   
  
  
       0.56    0.61
       0.68    0.73
   
       -114.82788008 
       -114.84011733 
       -114.83195916 
   
  
  
       0.61    0.66
       0.73    0.79
   
       -114.82790915 
       -114.84014920 
       -114.83198917 
   
  
  
       0.56    0.61
       0.68    0.74
   
       -114.82792689 
       -114.84017208 
       -114.83200862 
   
  
  
       0.62    0.67
       0.72    0.77
   
         11.89623751 
       1736.07420349 
      -3963.58401671 
        193.40002966 
       4573.24967919 
      -4566.67118267 
          0.01224380 
       -669.57614189 
       2570.37101784 
       -114.82792978 
       -114.84017358 
       -114.83201105 
   
  
  
   
    
           10.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1000.00000000 
    
            0.10000000       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.47808815       0.57356201       0.44905454 
           0.47665078       0.73706582       0.40717384 
           0.55321782       0.55406981       0.60080236 
           0.55335753       0.48085183       0.33068144 
           0.31272932       0.52870158       0.46857767 
           0.40780641       0.77115358       0.28487774 
           0.49209140       0.61682814       0.71494783 
           0.61751984       0.35609050       0.36513921 
           0.22727502       0.62073070       0.53840930 
           0.36505564       0.87586604       0.27829054 
           0.32069580       0.70105418       0.27357465 
           0.47291409       0.75737306       0.19452806 
           0.41805140       0.55031569       0.76801102 
           0.43443779       0.70549608       0.67815537 
           0.56131067       0.65722306       0.79421474 
           0.72690865       0.36806955       0.38949132 
           0.61049862       0.27226076       0.29015653 
           0.56843228       0.31746464       0.45947446 
           0.29193008       0.69703045       0.58699460 
           0.16429984       0.57593926       0.62096071 
           0.15706813       0.67788565       0.47189437 
   
  
  
         -0.70646104      -0.04499726       0.68124490 
          0.19334086      -0.54797379      -0.21669789 
         -0.14053477       0.24028616      -0.88723440 
         -0.27060566       0.29382170       0.78103689 
          0.85114602       0.11304302      -0.29351126 
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      -114.82792978 
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     14.77   15.82
 
 
  
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      -114.82972286 
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      5.35    5.75
 
 
  
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       0.70    0.75
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       0.75    0.89
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       1.29    1.35
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       0.96    1.02
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       0.95    1.01
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       1000.00000000 
    
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      -114.80220855 
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     18.62   19.92
 
 
  
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       1.03    1.10
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       1.07    1.14
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       1000.00000000 
    
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         -7.88707929       4.45980871       3.50884495 
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      -115.09933017 
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     21.26   22.49
 
 
  
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