vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  12:31:11 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.32000000      0.73000000
  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 
    
   
   
           0.93474842       0.21835745       0.68344696 
           0.89302146       0.09693876       0.86945305 
           0.71278163       0.08549729       0.14467164 
           0.36284320       0.86624054       0.54437879 
           0.36139282       0.54332908       0.00231307 
           0.94242008       0.57124643       0.20837962 
           0.78761705       0.20194913       0.22771663 
           0.10684157       0.32231337       0.18135816 
           0.91410096       0.65199164       0.89919265 
           0.18096125       0.83268261       0.84356564 
           0.84206124       0.44013019       0.44579608 
           0.54243900       0.43500190       0.31659643 
           0.35615502       0.63692844       0.30231516 
           0.98850364       0.81684968       0.67097328 
           0.06475924       0.55447769       0.92881283 
           0.00265842       0.42875723       0.37843778 
           0.33909586       0.80173354       0.78404303 
           0.63940790       0.67179873       0.95686436 
           0.23851400       0.72842511       0.10938314 
           0.85565743       0.12742540       0.89952776 
           0.99962949       0.62646632       0.44708047 
           0.24179903       0.05688591       0.50902149 
           0.87727305       0.88376434       0.29050325 
           0.04357905       0.42545289       0.27884650 
           0.84134896       0.53685245       0.27969420 
           0.77479679       0.11531899       0.41331688 
           0.01588565       0.71429108       0.16387795 
           0.52432346       0.99884466       0.16796544 
           0.13133093       0.67031861       0.44349400 
           0.43846252       0.41035643       0.26334432 
           0.95153313       0.11965620       0.59336254 
           0.12761610       0.96572538       0.37189795 
           0.93848327       0.43946281       0.56475446 
           0.28719711       0.58808455       0.24159046 
           0.76967338       0.03221441       0.76600609 
   
  
  
           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
       87
       -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
   
   
         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      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
           0.00000003
           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      0.32000000      0.73000000
      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      1.00000000     16.00000000
         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
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           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 
   
  
  
          0.93474842       0.21835745       0.68344696 
          0.89302146       0.09693876       0.86945305 
          0.71278163       0.08549729       0.14467164 
          0.36284320       0.86624054       0.54437879 
          0.36139282       0.54332908       0.00231307 
          0.94242008       0.57124643       0.20837962 
          0.78761705       0.20194913       0.22771663 
          0.10684157       0.32231337       0.18135816 
          0.91410096       0.65199164       0.89919265 
          0.18096125       0.83268261       0.84356564 
          0.84206124       0.44013019       0.44579608 
          0.54243900       0.43500190       0.31659643 
          0.35615502       0.63692844       0.30231516 
          0.98850364       0.81684968       0.67097328 
          0.06475924       0.55447769       0.92881283 
          0.00265842       0.42875723       0.37843778 
          0.33909586       0.80173354       0.78404303 
          0.63940790       0.67179873       0.95686436 
          0.23851400       0.72842511       0.10938314 
          0.85565743       0.12742540       0.89952776 
          0.99962949       0.62646632       0.44708047 
          0.24179903       0.05688591       0.50902149 
          0.87727305       0.88376434       0.29050325 
          0.04357905       0.42545289       0.27884650 
          0.84134896       0.53685245       0.27969420 
          0.77479679       0.11531899       0.41331688 
          0.01588565       0.71429108       0.16387795 
          0.52432346       0.99884466       0.16796544 
          0.13133093       0.67031861       0.44349400 
          0.43846252       0.41035643       0.26334432 
          0.95153313       0.11965620       0.59336254 
          0.12761610       0.96572538       0.37189795 
          0.93848327       0.43946281       0.56475446 
          0.28719711       0.58808455       0.24159046 
          0.76967338       0.03221441       0.76600609 
  
 
 
  
       4.63    4.64
       5.35    5.36
   
         24.76344702 
       -951.07439167 
      -2070.90493119 
       -288.96289225 
       3170.77911944 
      -2609.61052727 
         -0.00978763 
       -183.93284852 
       3755.32434067 
        846.37152860 
        846.38131623 
        846.37479114 
   
  
  
       6.29    6.30
       6.29    6.30
   
        212.39504290 
        212.39232848 
        212.39413809 
   
  
  
       7.41    7.42
       7.41    7.42
   
        107.01131577 
        107.02326348 
        107.01529834 
   
  
  
       6.87    6.88
       6.87    6.88
   
        100.26125248 
        100.28090755 
        100.26780417 
   
  
  
       7.35    7.36
       7.43    7.45
   
         99.88876667 
         99.91209750 
         99.89654361 
   
  
  
       6.25    6.26
       6.73    6.75
   
        132.89070327 
        132.91082948 
        132.89741201 
   
  
  
       6.79    6.81
       7.15    7.17
   
         76.70956388 
         76.71169170 
         76.71027315 
   
  
  
       6.45    6.47
       6.83    6.85
   
        115.06067051 
        115.04387674 
        115.05507259 
   
  
  
       6.45    6.47
       6.81    6.84
   
        131.80040208 
        131.84029208 
        131.81369875 
   
  
  
       5.83    5.86
       6.21    6.24
   
        140.45157806 
        140.43356177 
        140.44557263 
   
  
  
       6.20    6.26
       6.57    6.63
   
        142.00091834 
        141.98239799 
        141.99474489 
   
  
  
       6.07    6.09
       6.50    6.52
   
        141.92273888 
        141.90208635 
        141.91585471 
   
  
  
       6.96    6.99
       7.33    7.36
   
        141.28171078 
        141.27705475 
        141.28015877 
   
  
  
       7.18    7.20
       7.56    7.58
   
        142.50545048 
        142.50682419 
        142.50590838 
   
  
  
       6.42    6.46
       6.82    6.87
   
        142.64736852 
        142.64030111 
        142.64501271 
   
  
  
       7.54    7.57
       7.95    7.98
   
        142.77685448 
        142.78861166 
        142.78077354 
   
  
  
       5.90    5.92
       6.31    6.34
   
        142.79065600 
        142.79618175 
        142.79249792 
   
  
  
       7.15    7.17
       7.54    7.57
   
        142.76530248 
        142.75940068 
        142.76333521