vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  14:58:16 
 
 
  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 
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            0.00000000       0.00000000       0.09227425 
    
   
   
           0.92041409       0.53894997       0.07236746 
           0.85174962       0.30638271       0.38885506 
           0.12172282       0.45921282       0.16454867 
           0.13788802       0.31281795       0.31696599 
           0.80539887       0.33233587       0.01686726 
           0.93527639       0.45727409       0.50983140 
           0.08651171       0.34178312       0.10819857 
           0.15949071       0.42989017       0.37164869 
           0.92418955       0.57358389       0.54975899 
           0.76711310       0.25530230       0.84752233 
           0.12549814       0.53860232       0.70819310 
           0.00298273       0.22302790       0.71357193 
           0.90775927       0.34489742       0.58795438 
           0.85282779       0.44346956       0.94004443 
           0.16038161       0.33498845       0.71281852 
           0.10525220       0.43743986       0.81610502 
           0.42272593       0.45408002       0.11683482 
           0.33574716       0.23826422       0.43321255 
           0.70309808       0.48089163       0.17792412 
           0.56783391       0.28945429       0.32788252 
           0.32630755       0.31520006       0.98030426 
           0.44001391       0.43566143       0.46407299 
           0.54109234       0.33853355       0.13193110 
           0.71271548       0.41735457       0.36278525 
           0.38814592       0.52007644       0.61126576 
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           0.73962270       0.60536109       0.88224583 
   
  
  
           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 
          36 
  
 
 
  
          2        1        2 
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          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
      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  
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      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
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        0
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         0.00010000
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        1
        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
  
  
        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
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        1
        1
        1
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    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
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         0.00000000
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    F  
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    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
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    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
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        0
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    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 
   
  
  
          0.92041409       0.53894997       0.07236746 
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          0.12172282       0.45921282       0.16454867 
          0.13788802       0.31281795       0.31696599 
          0.80539887       0.33233587       0.01686726 
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          0.08651171       0.34178312       0.10819857 
          0.15949071       0.42989017       0.37164869 
          0.92418955       0.57358389       0.54975899 
          0.76711310       0.25530230       0.84752233 
          0.12549814       0.53860232       0.70819310 
          0.00298273       0.22302790       0.71357193 
          0.90775927       0.34489742       0.58795438 
          0.85282779       0.44346956       0.94004443 
          0.16038161       0.33498845       0.71281852 
          0.10525220       0.43743986       0.81610502 
          0.42272593       0.45408002       0.11683482 
          0.33574716       0.23826422       0.43321255 
          0.70309808       0.48089163       0.17792412 
          0.56783391       0.28945429       0.32788252 
          0.32630755       0.31520006       0.98030426 
          0.44001391       0.43566143       0.46407299 
          0.54109234       0.33853355       0.13193110 
          0.71271548       0.41735457       0.36278525 
          0.38814592       0.52007644       0.61126576 
          0.26764905       0.23560154       0.82394199 
          0.71098578       0.55378176       0.70020347 
          0.53964660       0.21727175       0.71634716 
          0.39233512       0.33177630       0.57110836 
          0.37219936       0.42917225       0.91261747 
          0.65144548       0.33702020       0.69626489 
          0.61746286       0.44484895       0.78920466 
          0.49619434       0.59637220       0.59074080 
          0.67087274       0.60862224       0.80711782 
          0.43051264       0.63424311       0.63211272 
          0.73962270       0.60536109       0.88224583 
  
 
 
  
       8.79    8.81
       9.85    9.87
   
         27.86983208 
       9388.07810290 
     -13052.28053720 
       -235.47839531 
       3513.49417245 
      -2953.91778466 
         -0.00744082 
       -208.42372147 
       4187.58753671 
        666.92176470 
        666.92920552 
        666.92424497 
   
  
  
      12.85   12.87
      12.85   12.88
   
        -85.84272723 
        -85.83723577 
        -85.84089674 
   
  
  
      12.19   12.22
      12.20   12.22
   
       -174.29191940 
       -174.27557883 
       -174.28647254 
   
  
  
      12.75   12.77
      12.76   12.77
   
       -177.55145366 
       -177.53334238 
       -177.54541656 
   
  
  
      13.59   13.62
      13.76   13.79
   
       -177.68525414 
       -177.66717340 
       -177.67922723 
   
  
  
      10.21   10.25
      11.12   11.15
   
       -147.13699168 
       -147.10785641 
       -147.12727992 
   
  
  
      10.96   11.02
      11.93   11.98
   
       -148.61184480 
       -148.58859610 
       -148.60409523 
   
  
  
      12.69   12.75
      13.63   13.69
   
       -150.04288379 
       -150.02026502 
       -150.03534420 
   
  
  
      11.15   11.22
      12.09   12.16
   
       -155.38444631 
       -155.37005489 
       -155.37964917 
   
  
  
      11.19   11.24
      12.13   12.18
   
       -159.94122250 
       -159.93929117 
       -159.94057873 
   
  
  
      10.40   10.45
      11.33   11.38
   
       -170.58710055 
       -170.57515510 
       -170.58311873 
   
  
  
      10.97   11.03
      11.89   11.95
   
       -176.44806119 
       -176.44332638 
       -176.44648292 
   
  
  
      11.35   11.43
      12.26   12.35
   
       -178.43878271 
       -178.45077719 
       -178.44278087 
   
  
  
      10.88   10.92
      11.89   11.93
   
       -180.13688228 
       -180.17429834 
       -180.14935430 
   
  
  
      11.59   11.71
      12.65   12.78
   
       -180.74470419 
       -180.78426846 
       -180.75789228 
   
  
  
      11.82   11.88
      12.91   12.97
   
       -180.92334046 
       -180.96217380 
       -180.93628490 
   
  
  
      11.13   11.18
      12.17   12.22
   
       -181.08925373 
       -181.12740427 
       -181.10197057 
   
  
  
      11.38   11.44
      12.41   12.47
   
       -181.27010907 
       -181.30781167 
       -181.28267661