vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  13:59:07 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000
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      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      0.00000000      0.10700000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.96530285       0.18239516       0.53799129 
           0.29155362       0.94059979       0.67886672 
           0.35265715       0.33136651       0.88520914 
           0.82322692       0.31933756       0.06230778 
           0.69104629       0.95230418       0.95956788 
           0.90580744       0.23670576       0.18770287 
           0.72372680       0.37198659       0.48020692 
           0.79584428       0.31371545       0.50321708 
           0.29595214       0.47258712       0.82945315 
           0.47730506       0.93378439       0.17669129 
           0.97085767       0.96545619       0.28821067 
           0.97044036       0.83024011       0.70822620 
           0.10309629       0.96913630       0.24483077 
           0.13373081       0.96997256       0.89803510 
           0.77839747       0.60303590       0.80839731 
           0.55380862       0.85449471       0.33913830 
           0.93712407       0.14382832       0.70583299 
           0.39603936       0.40354605       0.87020170 
           0.72409182       0.60893808       0.30966251 
           0.32033654       0.03736069       0.75694021 
           0.97724313       0.71774621       0.92771610 
           0.63625827       0.79228693       0.02330384 
           0.81392390       0.36858095       0.48913089 
           0.77257794       0.99329615       0.75517019 
           0.95134077       0.05924579       0.80926696 
           0.50348595       0.67940084       0.72436341 
           0.38487857       0.78989786       0.94967729 
           0.13146919       0.09266843       0.65951288 
           0.11909775       0.16127363       0.79759005 
           0.12306301       0.13301564       0.90976153 
           0.28253940       0.49584516       0.05280693 
           0.47569830       0.12080007       0.06133082 
           0.90080444       0.74563726       0.83279468 
           0.42895014       0.88313387       0.61756822 
           0.01074465       0.89313898       0.24780538 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       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       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
       88
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000003
           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
   
  
  
       40
       96
       54
       80
      192
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      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      1.00000000
         0.00000000      0.00000000      0.00000000
         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
        27.99362752
         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
      200
        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  
  
 
 
        35 
         3 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.96530285       0.18239516       0.53799129 
          0.29155362       0.94059979       0.67886672 
          0.35265715       0.33136651       0.88520914 
          0.82322692       0.31933756       0.06230778 
          0.69104629       0.95230418       0.95956788 
          0.90580744       0.23670576       0.18770287 
          0.72372680       0.37198659       0.48020692 
          0.79584428       0.31371545       0.50321708 
          0.29595214       0.47258712       0.82945315 
          0.47730506       0.93378439       0.17669129 
          0.97085767       0.96545619       0.28821067 
          0.97044036       0.83024011       0.70822620 
          0.10309629       0.96913630       0.24483077 
          0.13373081       0.96997256       0.89803510 
          0.77839747       0.60303590       0.80839731 
          0.55380862       0.85449471       0.33913830 
          0.93712407       0.14382832       0.70583299 
          0.39603936       0.40354605       0.87020170 
          0.72409182       0.60893808       0.30966251 
          0.32033654       0.03736069       0.75694021 
          0.97724313       0.71774621       0.92771610 
          0.63625827       0.79228693       0.02330384 
          0.81392390       0.36858095       0.48913089 
          0.77257794       0.99329615       0.75517019 
          0.95134077       0.05924579       0.80926696 
          0.50348595       0.67940084       0.72436341 
          0.38487857       0.78989786       0.94967729 
          0.13146919       0.09266843       0.65951288 
          0.11909775       0.16127363       0.79759005 
          0.12306301       0.13301564       0.90976153 
          0.28253940       0.49584516       0.05280693 
          0.47569830       0.12080007       0.06133082 
          0.90080444       0.74563726       0.83279468 
          0.42895014       0.88313387       0.61756822 
          0.01074465       0.89313898       0.24780538 
  
 
 
  
       6.02    6.07
       6.52    6.57
   
         24.76344702 
       -288.54782612 
      -2639.44319307 
       -286.72528042 
       3170.77583059 
      -2609.60722799 
          0.01730795 
       -227.70343332 
       3755.32434067 
        898.85396532 
        898.83665737 
        898.84819601 
   
  
  
       7.80    7.85
       7.80    7.85
   
        232.57451502 
        232.57665170 
        232.57522725 
   
  
  
       9.34    9.40
       9.34    9.40
   
         98.94983230 
         99.00557883 
         98.96841448 
   
  
  
       8.69    8.77
       8.69    8.77
   
         87.96702235 
         88.00192111 
         87.97865527 
   
  
  
       8.26    8.32
       8.38    8.43
   
         86.79307151 
         86.80170028 
         86.79594777 
   
  
  
       8.01    8.07
       8.60    8.65
   
         74.81117599 
         74.82616497 
         74.81617232 
   
  
  
       9.15    9.21
       9.78    9.84
   
        114.47535067 
        114.48347360 
        114.47805831 
   
  
  
       7.74    7.80
       8.36    8.42
   
        160.62039038 
        160.59944440 
        160.61340839 
   
  
  
       8.02    8.08
       8.58    8.64
   
        157.09554492 
        157.09562829 
        157.09557271 
   
  
  
       7.80    7.86
       8.36    8.43
   
        155.06300866 
        155.09366275 
        155.07322669 
   
  
  
       7.49    7.54
       8.06    8.12
   
        155.49712639 
        155.53572304 
        155.50999194 
   
  
  
       7.81    7.88
       8.38    8.45
   
        157.45577054 
        157.41156099 
        157.44103402 
   
  
  
       8.44    8.50
       9.01    9.08
   
        154.63930148 
        154.58606036 
        154.62155444 
   
  
  
       8.16    8.22
       8.74    8.80
   
        158.87581126 
        158.85056878 
        158.86739710 
   
  
  
       7.67    7.74
       8.25    8.32
   
        105.98328207 
        106.00037124 
        105.98897846 
   
  
  
       7.48    7.53
       8.05    8.11
   
         92.60819908 
         92.59830255 
         92.60490024 
   
  
  
       7.29    7.36
       7.85    7.93
   
         95.40678651 
         95.46621860 
         95.42659721 
   
  
  
       6.86    6.91
       7.44    7.49
   
        106.83492742 
        106.82393281 
        106.83126255 
   
  
  
       6.76    6.82
       7.34    7.40
   
        126.88206858 
        126.89905824 
        126.88773180 
   
  
  
       6.74    6.80
       7.31    7.37
   
        131.11708502 
        131.13331592 
        131.12249532 
   
  
  
       6.74    6.80
       7.31    7.37
   
      -1002.28222557 
      -1002.28646659 
      -1002.28363925 
   
  
  
       6.85    6.90
       7.43    7.48
   
        142.26640360 
        142.27613579 
        142.26964766 
   
  
  
       7.69    7.75
       8.27    8.33
   
       -121.60661461 
       -121.58587804 
       -121.59970242 
   
  
  
       6.82    6.88
       7.39    7.46
   
        123.36453316 
        123.38223097 
        123.37043243 
   
  
  
       6.50    6.56
       7.09    7.15
   
         94.97324884 
         94.97860416 
         94.97503395 
   
  
  
       6.35    6.40
       6.92    6.98
   
        100.34540607 
        100.39309118 
        100.36130111 
   
  
  
       7.48    7.54
       8.05    8.12
   
         91.81261918 
         91.84316088 
         91.82279975 
   
  
  
       7.15    7.20
       7.74    7.79
   
         92.80278644 
         92.81919105 
         92.80825465 
   
  
  
       8.20    8.27
       8.80    8.88
   
         92.20893446 
         92.23872586 
         92.21886493 
   
  
  
       6.53    6.59
       7.11    7.17
   
         93.72741759 
         93.75049698 
         93.73511072 
   
  
  
       6.47    6.54
       7.06    7.13
   
         90.05716918 
         90.09108188 
         90.06847341 
   
  
  
       6.65    6.71
       7.27    7.33
   
         90.79112436 
         90.82887849 
         90.80370907 
   
  
  
       6.33    6.40
       6.93    7.00
   
         91.02963071 
         91.05921115 
         91.03949086 
   
  
  
       6.20    6.26
       6.82    6.88
   
         91.94196245 
         91.97408138 
         91.95266876 
   
  
  
       6.47    6.53
       7.08    7.14
   
         89.36081171 
         89.38707239 
         89.36956527 
   
  
  
       5.95    6.02
       6.56    6.63
   
         93.85867556 
         93.86161084 
         93.85965399 
   
  
  
       7.11    7.17
       7.73    7.80
   
         93.15042735 
         93.15438496 
         93.15174655 
   
  
  
       6.74    6.80
       7.35    7.43
   
         94.89472999 
         94.89532758 
         94.89492919 
   
  
  
       7.76    7.83
       8.37    8.44
   
         95.22633641 
         95.22550894 
         95.22606059 
   
  
  
       6.23    6.29
       6.86    6.92
   
         95.92010988 
         95.92102892 
         95.92041623 
   
  
  
       8.05    8.10
       8.67    8.73
   
         96.02516445 
         96.02614783 
         96.02549224 
   
  
  
       6.19    6.25
       6.80    6.87
   
        100.37505286 
        100.37289063 
        100.37433212 
   
  
  
       6.25    6.30
       6.86    6.91
   
        102.55886930 
        102.54961576 
        102.55578479 
   
  
  
       5.98    6.04
       6.62    6.68
   
        136.06389902 
        136.03049827 
        136.05276544 
   
  
  
       6.83    6.88
       7.48    7.54
   
        143.79580382 
        143.78338082 
        143.79166282 
   
  
  
       6.40    6.46
       7.03    7.09
   
        142.10300224 
        142.08695536 
        142.09765328 
   
  
  
       6.47    6.53
       7.16    7.23
   
        152.90742686 
        152.86655044 
        152.89380139 
   
  
  
       6.90    6.96
       7.58    7.64
   
        175.70891162 
        175.66872021 
        175.69551448 
   
  
  
       7.65    7.71
       8.28    8.34
   
        184.47254998 
        184.42271155 
        184.45593717 
   
  
  
       6.63    6.69
       7.28    7.34
   
        203.94201715 
        203.90657106 
        203.93020178 
   
  
  
       7.07    7.12
       7.72    7.78
   
        334.32650135 
        334.32016293 
        334.32438854 
   
  
  
       7.82    7.89
       8.48    8.55
   
        319.41358905 
        319.43062658 
        319.41926823 
   
  
  
       7.44    7.50
       8.09    8.16
   
        310.75982133 
        310.76190866 
        310.76051710 
   
  
  
       7.29    7.34
       7.93    7.98
   
        310.40157520 
        310.39043013 
        310.39786018 
   
  
  
       8.94    9.00
       9.59    9.65
   
        310.37462832 
        310.36131360 
        310.37019008 
   
  
  
       9.42    9.48
      10.03   10.09
   
      -7533.68453777 
      -7533.67910383 
      -7533.68272645