vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 22 
  20:25:44 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      95
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.36111976       0.46795875       0.47197191 
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           0.34819149       0.36407899       0.50556216 
           0.49756755       0.50803138       0.49486752 
           0.28923932       0.53767532       0.50669577 
           0.37159428       0.31956759       0.58204844 
           0.37019688       0.46200593       0.34893678 
           0.52545938       0.45666827       0.53323133 
           0.50275170       0.49117401       0.42278780 
           0.74173797       0.55002220       0.41382723 
           0.24413993       0.50779128       0.47863682 
           0.28313964       0.54093805       0.57928818 
           0.29311791       0.60615981       0.48170904 
           0.37953152       0.24845497       0.56608352 
           0.41879833       0.34816098       0.60470258 
           0.33522429       0.32335811       0.63755774 
           0.37646217       0.52816597       0.31906853 
           0.41268120       0.42067395       0.32822264 
           0.32565797       0.43231632       0.31932962 
           0.51970853       0.57510830       0.50776850 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       34
       -1
       -1
        45.00000000
        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
     F  
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     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        95
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000007
           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
   
  
  
       98
       80
       80
      196
      160
      160
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
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         0.00010000
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        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
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      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
  
  
        2
        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
       135.00000000
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
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    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
       95
        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  
  
 
 
        20 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    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
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      13H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.36111976       0.46795875       0.47197191 
          0.42868993       0.50870931       0.52135594 
          0.34819149       0.36407899       0.50556216 
          0.49756755       0.50803138       0.49486752 
          0.28923932       0.53767532       0.50669577 
          0.37159428       0.31956759       0.58204844 
          0.37019688       0.46200593       0.34893678 
          0.52545938       0.45666827       0.53323133 
          0.50275170       0.49117401       0.42278780 
          0.74173797       0.55002220       0.41382723 
          0.24413993       0.50779128       0.47863682 
          0.28313964       0.54093805       0.57928818 
          0.29311791       0.60615981       0.48170904 
          0.37953152       0.24845497       0.56608352 
          0.41879833       0.34816098       0.60470258 
          0.33522429       0.32335811       0.63755774 
          0.37646217       0.52816597       0.31906853 
          0.41268120       0.42067395       0.32822264 
          0.32565797       0.43231632       0.31932962 
          0.51970853       0.57510830       0.50776850 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       0.59    0.69
       1.53    1.64
   
          1.68550828 
       2640.97643495 
      -3867.96733644 
        128.22889747 
       1243.05329558 
      -1231.45038952 
         -0.00740628 
       -257.87628889 
       1718.32325843 
        374.96597359 
        374.97337987 
        374.96844235 
   
  
  
       0.79    0.80
       0.79    0.80
   
         88.91822960 
         88.95868061 
         88.93171327 
   
  
  
       0.83    0.83
       0.83    0.83
   
        -86.52797833 
        -86.47155937 
        -86.50917201 
   
  
  
       0.88    0.89
       0.88    0.89
   
       -113.00327180 
       -112.94685284 
       -112.98446548 
   
  
  
       0.77    0.77
       0.91    0.91
   
       -113.72123879 
       -113.66481983 
       -113.70243247 
   
  
  
       0.77    0.78
       1.89    1.91
   
       -103.33767278 
       -103.28125382 
       -103.31886646 
   
  
  
       0.70    0.71
       2.31    2.32
   
       -101.79960330 
       -101.74318435 
       -101.78079699 
   
  
  
       0.64    0.66
       2.25    2.28
   
       -101.36217635 
       -101.30600565 
       -101.34345278 
   
  
  
       0.66    0.68
       2.22    2.24
   
       -101.26471205 
       -101.22879698 
       -101.25274036 
   
  
  
       0.49    0.51
       1.94    1.96
   
       -101.36867229 
       -101.32860418 
       -101.35531625 
   
  
  
       0.41    0.42
       1.86    1.88
   
       -101.22224974 
       -101.15946014 
       -101.20131987 
   
  
  
       0.46    0.51
       1.93    1.99
   
       -101.23131609 
       -101.18492665 
       -101.21585295 
   
  
  
       0.49    0.52
       2.05    2.09
   
       -101.24168561 
       -101.18342791 
       -101.22226637 
   
  
  
       0.48    0.50
       2.01    2.04
   
       -101.23840999 
       -101.19651241 
       -101.22444413 
   
  
  
       0.49    0.51
       2.03    2.06
   
       -101.24438592 
       -101.21690056 
       -101.23522414 
   
  
  
       0.51    0.53
       2.04    2.07
   
       -101.24597072 
       -101.21166806 
       -101.23453650 
   
  
  
       0.48    0.48
       2.08    2.08
   
       -101.25173640 
       -101.21174528 
       -101.23840603 
   
  
  
       0.53    0.54
       2.19    2.20
   
       -101.25581779 
       -101.22023539 
       -101.24395699 
   
  
  
       0.65    0.71
       2.15    2.21
   
       -101.25910433 
       -101.22131083 
       -101.24650650 
   
  
  
       0.51    0.57
       1.98    2.05
   
       -101.26092902 
       -101.22274889 
       -101.24820231 
   
  
  
       0.43    0.46
       1.91    1.96
   
       -101.26228511 
       -101.22542831 
       -101.24999951 
   
  
  
       0.51    0.55
       2.13    2.17
   
       -101.26279036 
       -101.22614666 
       -101.25057580 
   
  
  
       0.38    0.41
       2.05    2.07
   
       -101.26314260 
       -101.22693519 
       -101.25107346 
   
  
  
       0.42    0.43
       2.07    2.08
   
       -101.26326226 
       -101.22667230 
       -101.25106560 
   
  
  
       0.46    0.54
       2.11    2.20
   
       -101.26334108 
       -101.22640352 
       -101.25102856 
   
  
  
       0.53    0.54
       2.25    2.27
   
       -101.27171190 
       -101.23520882 
       -101.25954421 
   
  
  
       0.54    0.56
       2.10    2.13
   
       -101.29274068 
       -101.25622898 
       -101.28057011 
   
  
  
       0.44    0.48
       2.13    2.16
   
       -101.29246375 
       -101.25597206 
       -101.28029985 
   
  
  
       0.64    0.65
       1.98    2.00
   
     -15397.09517794 
     -15397.04015915 
     -15397.07683834 
   
  
  
       0.22    0.22
       1.44    1.45
   
        -72.10441435 
        -71.99616745 
        -72.06833205 
   
  
  
       0.28    0.29
       1.66    1.67
   
     -17167.12443421 
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       0.27    0.27
       1.47    1.47
   
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       0.19    0.19
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     -11509.47134562 
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       0.18    0.18
       0.74    0.74
   
      -2107.12204566 
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       0.20    0.20
       0.75    0.75
   
      -2476.31541243 
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       0.20    0.20
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      -3767.34217391 
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       0.18    0.18
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      -6681.28193814 
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       0.19    0.19
       0.63    0.63
   
      -3662.36151819 
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       0.17    0.17
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      -2794.43639565 
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       0.20    0.20
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      -3723.17059259 
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       0.18    0.18
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      -4349.15682316 
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       0.20    0.20
       0.68    0.68
   
      -8316.28226067 
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       0.18    0.18
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       0.18    0.18
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      -3290.31087911 
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       0.20    0.20
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      -7883.92783347 
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      -7883.90902718 
   
  
  
       0.17    0.17
       0.76    0.76
   
      -3893.52804381 
      -3893.48938166 
      -3893.51515643 
   
  
  
       0.18    0.18
       0.66    0.67
   
      -6830.51465360 
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       0.21    0.21
       0.79    0.80
   
     -13361.73772901 
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       0.17    0.17
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      -3439.94271471 
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       0.20    0.20
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       0.22    0.22
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      -7833.28206349 
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       0.19    0.19
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       0.19    0.20
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       0.20    0.20
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       0.19    0.19
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       0.19    0.19
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       0.15    0.15
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       0.19    0.19
       0.78    0.78
   
     -86869.84369489 
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       0.20    0.20
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     -67839.22419836 
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       0.17    0.17
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      -4256.75963767 
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       0.21    0.21
       0.78    0.79
   
     -22501.35323694 
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       0.17    0.17
       0.75    0.76
   
     -21682.91969845 
     -21682.86363606 
     -21682.90101099 
   
  
  
       0.21    0.21
       0.79    0.79
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.21    0.21
       0.73    0.74
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.14    0.15
       0.65    0.65
   
        204.48080531 
        204.53710879 
        204.49957314 
   
  
  
       0.15    0.15
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       0.15    0.15
       0.65    0.65
   
       -103.35367979 
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       0.21    0.21
       0.72    0.72
   
      -3266.12276424 
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       0.20    0.20
       0.70    0.71
   
     -10004.07163730 
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       0.21    0.21
       0.71    0.71
   
      -7402.18697310 
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       0.21    0.21
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     -20192.61182510 
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     -20192.59301878