vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  08:21:41 
 
 
  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
        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
  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 
    
   
   
           0.61354563       0.50044588       0.67375648 
           0.28499309       0.56109324       0.67589927 
           0.81410677       0.33421416       0.84472964 
           0.78137484       0.19647700       0.69333455 
           0.21755497       0.81075981       0.83290201 
           0.84151983       0.42624737       0.33229619 
           0.68663399       0.80969620       0.27147438 
           0.58052380       0.51800992       0.80147085 
           0.29596859       0.31069480       0.39192480 
           0.51505207       0.01841313       0.17071297 
           0.28298237       0.29633796       0.39177953 
           0.25496508       0.05930011       0.23188695 
           0.43452903       0.35413047       0.41840039 
           0.84629600       0.82598089       0.96879401 
           0.68747836       0.42644557       0.90086668 
           0.00620488       0.22053934       0.35917995 
           0.84054184       0.41345389       0.51660999 
           0.21914112       0.54386890       0.34735840 
           0.98685205       0.88532013       0.29097144 
           0.97523327       0.71166138       0.78789016 
           0.12299434       0.23803886       0.27980366 
           0.62801018       0.85075060       0.35365375 
           0.93349652       0.62820882       0.16015192 
           0.56465043       0.56738682       0.65777244 
           0.48930381       0.33514875       0.58428831 
           0.12693239       0.08903383       0.22938024 
           0.11637769       0.99462808       0.87935339 
           0.53547046       0.20869130       0.01161934 
           0.33441592       0.98751696       0.52252098 
           0.70708421       0.11780064       0.39863564 
           0.12718832       0.90444944       0.63809090 
           0.97822372       0.35842777       0.70745830 
           0.38771860       0.55988902       0.59355124 
           0.51983152       0.00685790       0.80733270 
           0.59275891       0.78360081       0.87912760 
   
  
  
           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 
   
  
  
          0.61354563       0.50044588       0.67375648 
          0.28499309       0.56109324       0.67589927 
          0.81410677       0.33421416       0.84472964 
          0.78137484       0.19647700       0.69333455 
          0.21755497       0.81075981       0.83290201 
          0.84151983       0.42624737       0.33229619 
          0.68663399       0.80969620       0.27147438 
          0.58052380       0.51800992       0.80147085 
          0.29596859       0.31069480       0.39192480 
          0.51505207       0.01841313       0.17071297 
          0.28298237       0.29633796       0.39177953 
          0.25496508       0.05930011       0.23188695 
          0.43452903       0.35413047       0.41840039 
          0.84629600       0.82598089       0.96879401 
          0.68747836       0.42644557       0.90086668 
          0.00620488       0.22053934       0.35917995 
          0.84054184       0.41345389       0.51660999 
          0.21914112       0.54386890       0.34735840 
          0.98685205       0.88532013       0.29097144 
          0.97523327       0.71166138       0.78789016 
          0.12299434       0.23803886       0.27980366 
          0.62801018       0.85075060       0.35365375 
          0.93349652       0.62820882       0.16015192 
          0.56465043       0.56738682       0.65777244 
          0.48930381       0.33514875       0.58428831 
          0.12693239       0.08903383       0.22938024 
          0.11637769       0.99462808       0.87935339 
          0.53547046       0.20869130       0.01161934 
          0.33441592       0.98751696       0.52252098 
          0.70708421       0.11780064       0.39863564 
          0.12718832       0.90444944       0.63809090 
          0.97822372       0.35842777       0.70745830 
          0.38771860       0.55988902       0.59355124 
          0.51983152       0.00685790       0.80733270 
          0.59275891       0.78360081       0.87912760 
  
 
 
  
       5.97    6.04
       6.48    6.55
   
         24.76344702 
       -294.33554693 
      -2212.06358701 
       -292.72220163 
       3170.77583059 
      -2609.60722799 
         -0.00979300 
       -208.03445813 
       3755.32434067 
       1334.09080360 
       1334.10059659 
       1334.09406793 
   
  
  
       7.79    7.85
       7.80    7.85
   
        654.74798237 
        654.72860447 
        654.74152307 
   
  
  
       9.35    9.40
       9.35    9.41
   
        484.23004654 
        484.22216545 
        484.22741951 
   
  
  
       7.87    7.93
       7.87    7.93
   
        465.58333374 
        465.56740473 
        465.57802407 
   
  
  
       7.56    7.64
       7.68    7.76
   
        464.88049039 
        464.87026816 
        464.87708298 
   
  
  
       8.80    8.85
       9.35    9.41
   
        497.66071629 
        497.63393473 
        497.65178910 
   
  
  
       8.64    8.69
       9.21    9.26
   
        505.62514319 
        505.67055384 
        505.64028007 
   
  
  
       7.58    7.64
       8.14    8.20
   
        584.21436178 
        584.22319121 
        584.21730492 
   
  
  
       7.46    7.52
       8.01    8.08
   
        573.58005159 
        573.58811723 
        573.58274014 
   
  
  
       8.13    8.19
       8.68    8.75
   
        573.24352971 
        573.21647110 
        573.23451017 
   
  
  
       7.46    7.52
       8.02    8.09
   
        573.33066162 
        573.37377106 
        573.34503143 
   
  
  
       7.13    7.18
       7.69    7.75
   
        573.13801984 
        573.17216357 
        573.14940108 
   
  
  
       7.63    7.68
       8.20    8.25
   
        572.92326173 
        572.93921515 
        572.92857954 
   
  
  
       7.74    7.79
       8.31    8.37
   
        572.70995671 
        572.73569688 
        572.71853677 
   
  
  
       7.54    7.59
       8.11    8.16
   
        571.20367368 
        571.24351195 
        571.21695310 
   
  
  
       6.42    6.48
       6.98    7.05
   
        571.40515169 
        571.44974771 
        571.42001703 
   
  
  
       5.68    5.73
       6.23    6.29
   
        572.66453026 
        572.69982051 
        572.67629367 
   
  
  
       5.35    5.40
       5.90    5.96
   
        572.63467029 
        572.62827030 
        572.63253696 
   
  
  
       5.47    5.53
       6.02    6.09
   
        573.94468714 
        573.92660013 
        573.93865814 
   
  
  
       6.27    6.33
       6.83    6.89
   
        574.02797277 
        574.00674031 
        574.02089528 
   
  
  
       5.14    5.20
       5.70    5.76
   
        574.10003235 
        574.07529401 
        574.09178624 
   
  
  
       6.60    6.66
       7.16    7.22
   
        574.07409082 
        574.05092463 
        574.06636876 
   
  
  
       4.86    4.92
       5.43    5.49
   
        569.47555801 
        569.52857827 
        569.49323143 
   
  
  
       4.96    5.02
       5.52    5.59
   
        572.71956538 
        572.73418079 
        572.72443718 
   
  
  
       5.49    5.54
       6.09    6.15
   
        575.18725142 
        575.16550945 
        575.18000409 
   
  
  
       6.02    6.09
       6.63    6.69
   
        572.22810843 
        572.24283550 
        572.23301746 
   
  
  
       5.56    5.62
       6.13    6.18
   
        538.85127549 
        538.89633592 
        538.86629563 
   
  
  
       5.54    5.59
       6.11    6.17
   
        492.25859044 
        492.26863924 
        492.26194004 
   
  
  
       5.40    5.46
       5.97    6.04
   
        489.84809287 
        489.85505525 
        489.85041366 
   
  
  
       5.29    5.36
       5.87    5.94
   
        497.35111658 
        497.34463573 
        497.34895630