vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 04 
  15:38:02 
 
 
  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
  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 
    
   
   
           0.72366614       0.72709493       0.65751726 
           0.20519948       0.33551605       0.16439011 
           0.79870296       0.65681842       0.32659386 
           0.54213313       0.41302621       0.87105363 
           0.81610969       0.04322706       0.26748158 
           0.38041028       0.42581783       0.05732509 
           0.85269570       0.58927866       0.90441557 
           0.56927447       0.45306893       0.47387706 
           0.41323816       0.22988346       0.37294178 
           0.82663606       0.62836249       0.59455173 
           0.51859062       0.61661608       0.46879040 
           0.11509583       0.73583129       0.94192192 
           0.57371315       0.53986223       0.97453841 
           0.17700841       0.10966539       0.89538589 
           0.70625799       0.29475548       0.00633991 
           0.91924721       0.34779405       0.07254813 
           0.15159336       0.60612561       0.58393019 
           0.02098618       0.46476500       0.85809958 
           0.07595508       0.13192004       0.91209620 
           0.62790781       0.43718808       0.31051923 
           0.14883245       0.48446316       0.18412448 
           0.55752258       0.88914627       0.70741940 
           0.83468422       0.49959124       0.95014237 
           0.01267358       0.80827395       0.66163585 
           0.62353427       0.88082452       0.31796074 
           0.12693895       0.10806443       0.62182807 
           0.31608837       0.74013900       0.77156216 
           0.23838416       0.23810209       0.14221075 
           0.81467009       0.27145162       0.54103391 
           0.95987564       0.66112645       0.04899344 
           0.96712383       0.00171814       0.00242612 
           0.56065622       0.89478004       0.69709562 
           0.96255338       0.66195124       0.07992722 
           0.20961243       0.20716878       0.08512701 
           0.91294391       0.70736078       0.19982549 
           0.93054889       0.97276319       0.82774821 
   
  
  
           1 
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           7 
           8 
           9 
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          11 
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          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
  
 
 
  
          3        2        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       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 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.33333333       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.33333333       0.50000000       0.50000000 
  
  
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
      108
       -1
       -1
       142.00000000
        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  
          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      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  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000002
           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
  
  
        3
        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
        27.21602676
         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  
  
 
 
        36 
         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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2O      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 
   
  
  
          0.72366614       0.72709493       0.65751726 
          0.20519948       0.33551605       0.16439011 
          0.79870296       0.65681842       0.32659386 
          0.54213313       0.41302621       0.87105363 
          0.81610969       0.04322706       0.26748158 
          0.38041028       0.42581783       0.05732509 
          0.85269570       0.58927866       0.90441557 
          0.56927447       0.45306893       0.47387706 
          0.41323816       0.22988346       0.37294178 
          0.82663606       0.62836249       0.59455173 
          0.51859062       0.61661608       0.46879040 
          0.11509583       0.73583129       0.94192192 
          0.57371315       0.53986223       0.97453841 
          0.17700841       0.10966539       0.89538589 
          0.70625799       0.29475548       0.00633991 
          0.91924721       0.34779405       0.07254813 
          0.15159336       0.60612561       0.58393019 
          0.02098618       0.46476500       0.85809958 
          0.07595508       0.13192004       0.91209620 
          0.62790781       0.43718808       0.31051923 
          0.14883245       0.48446316       0.18412448 
          0.55752258       0.88914627       0.70741940 
          0.83468422       0.49959124       0.95014237 
          0.01267358       0.80827395       0.66163585 
          0.62353427       0.88082452       0.31796074 
          0.12693895       0.10806443       0.62182807 
          0.31608837       0.74013900       0.77156216 
          0.23838416       0.23810209       0.14221075 
          0.81467009       0.27145162       0.54103391 
          0.95987564       0.66112645       0.04899344 
          0.96712383       0.00171814       0.00242612 
          0.56065622       0.89478004       0.69709562 
          0.96255338       0.66195124       0.07992722 
          0.20961243       0.20716878       0.08512701 
          0.91294391       0.70736078       0.19982549 
          0.93054889       0.97276319       0.82774821 
  
 
 
  
      20.39   20.43
      22.22   22.26
   
         27.86983208 
       1136.25036428 
      -2747.05852292 
       -268.85577679 
       3513.49417245 
      -2953.91778466 
          0.00205305 
       -270.58838784 
       4187.58753671 
       2624.78348637 
       2624.78143333 
       2624.78280202 
   
  
  
      27.52   27.57
      27.52   27.57
   
       1809.01220264 
       1809.00855443 
       1809.01098657 
   
  
  
      28.68   28.73
      28.68   28.73
   
       1618.50263981 
       1618.52994873 
       1618.51174278 
   
  
  
      26.51   26.58
      26.51   26.58
   
       1595.35692060 
       1595.41941172 
       1595.37775097 
   
  
  
      25.23   25.30
      25.44   25.51
   
       1594.63836949 
       1594.70058001 
       1594.65910633 
   
  
  
      23.74   23.86
      24.90   25.01
   
       1658.84996741 
       1658.86024946 
       1658.85339476 
   
  
  
      28.30   28.44
      29.38   29.52
   
       1599.05487155 
       1599.06163647 
       1599.05712652 
   
  
  
      32.60   32.69
      34.13   34.22
   
       1601.52930294 
       1601.51951367 
       1601.52603985 
   
  
  
      27.28   27.39
      28.35   28.46
   
       1768.41049615 
       1768.40059350 
       1768.40719527 
   
  
  
      26.57   26.69
      27.62   27.74
   
       1765.04908150 
       1765.09563989 
       1765.06460097 
   
  
  
      26.32   26.43
      27.32   27.43
   
       1765.84763615 
       1765.84293769 
       1765.84607000 
   
  
  
      28.20   28.28
      29.29   29.37
   
       1766.58881820 
       1766.60021625 
       1766.59261755 
   
  
  
      24.99   25.09
      26.13   26.24
   
       1766.04445700 
       1766.05124912 
       1766.04672104 
   
  
  
      23.75   23.83
      24.85   24.92
   
       1765.37374236 
       1765.39163322 
       1765.37970598 
   
  
  
      24.95   25.04
      26.03   26.13
   
       1761.42236642 
       1761.39183974 
       1761.41219086 
   
  
  
      25.86   25.96
      26.89   26.99
   
       1756.03880971 
       1756.02506302 
       1756.03422748 
   
  
  
      24.75   24.87
      25.81   25.93
   
       1752.00174571 
       1752.02373085 
       1752.00907409 
   
  
  
      24.86   24.97
      25.99   26.10
   
       1752.17577417 
       1752.18944262 
       1752.18033032 
   
  
  
      23.71   23.79
      24.86   24.93
   
       1737.43364354 
       1737.41298701 
       1737.42675803 
   
  
  
      22.86   22.95
      23.92   24.02
   
       1762.01267557 
       1761.99567414 
       1762.00700843