vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  21:39:36 
 
 
  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 
    
   
   
           0.95118070       0.98515254       0.32952390 
           0.87392628       0.48946259       0.22018338 
           0.75639281       0.38979622       0.89437730 
           0.49612026       0.51278007       0.50053267 
           0.41922277       0.49042101       0.07662651 
           0.14105995       0.35848681       0.20055286 
           0.62284203       0.67042113       0.28086400 
           0.35648190       0.53105791       0.57408312 
           0.44470249       0.75492706       0.73946082 
           0.07634899       0.09366371       0.40845867 
           0.28545904       0.36598423       0.99663274 
           0.97667017       0.10060959       0.88548882 
           0.45676218       0.84260675       0.75163385 
           0.51513414       0.67522838       0.86420170 
           0.89264762       0.36040354       0.38433945 
           0.07892571       0.24889259       0.92196612 
           0.78775720       0.00632986       0.43414146 
           0.32451328       0.55718443       0.79060005 
           0.07338658       0.76728408       0.26336238 
           0.93578581       0.06345048       0.35287036 
           0.93667100       0.44186632       0.86089755 
           0.59404737       0.48981154       0.18539271 
           0.49487281       0.69984627       0.08001544 
           0.43011664       0.52191153       0.49592018 
           0.34171405       0.67347143       0.73313312 
           0.84563895       0.26590715       0.59529111 
           0.10902597       0.54409250       0.10345056 
           0.04588887       0.47002513       0.76670500 
           0.85484718       0.54334695       0.70988614 
           0.47145942       0.20951471       0.52422615 
           0.55701814       0.91305421       0.01272966 
           0.61673016       0.33371920       0.58015230 
           0.87332128       0.75785608       0.51915225 
           0.85279195       0.64783965       0.68993159 
           0.46640341       0.05119671       0.72849308 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
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          21 
          22 
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          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 
   
  
  
          0.95118070       0.98515254       0.32952390 
          0.87392628       0.48946259       0.22018338 
          0.75639281       0.38979622       0.89437730 
          0.49612026       0.51278007       0.50053267 
          0.41922277       0.49042101       0.07662651 
          0.14105995       0.35848681       0.20055286 
          0.62284203       0.67042113       0.28086400 
          0.35648190       0.53105791       0.57408312 
          0.44470249       0.75492706       0.73946082 
          0.07634899       0.09366371       0.40845867 
          0.28545904       0.36598423       0.99663274 
          0.97667017       0.10060959       0.88548882 
          0.45676218       0.84260675       0.75163385 
          0.51513414       0.67522838       0.86420170 
          0.89264762       0.36040354       0.38433945 
          0.07892571       0.24889259       0.92196612 
          0.78775720       0.00632986       0.43414146 
          0.32451328       0.55718443       0.79060005 
          0.07338658       0.76728408       0.26336238 
          0.93578581       0.06345048       0.35287036 
          0.93667100       0.44186632       0.86089755 
          0.59404737       0.48981154       0.18539271 
          0.49487281       0.69984627       0.08001544 
          0.43011664       0.52191153       0.49592018 
          0.34171405       0.67347143       0.73313312 
          0.84563895       0.26590715       0.59529111 
          0.10902597       0.54409250       0.10345056 
          0.04588887       0.47002513       0.76670500 
          0.85484718       0.54334695       0.70988614 
          0.47145942       0.20951471       0.52422615 
          0.55701814       0.91305421       0.01272966 
          0.61673016       0.33371920       0.58015230 
          0.87332128       0.75785608       0.51915225 
          0.85279195       0.64783965       0.68993159 
          0.46640341       0.05119671       0.72849308 
  
 
 
  
       5.96    6.04
       6.47    6.55
   
         24.76344702 
       -215.01197297 
      -2710.07123367 
       -291.46263880 
       3170.77583059 
      -2609.60722799 
         -0.01984913 
       -201.80873700 
       3755.32434067 
        922.88195874 
        922.90180786 
        922.88857511 
   
  
  
       7.52    7.59
       7.53    7.59
   
        295.26210119 
        295.25121205 
        295.25847148 
   
  
  
       9.27    9.33
       9.27    9.33
   
        160.68580486 
        160.70537626 
        160.69232866 
   
  
  
       8.09    8.15
       8.09    8.15
   
        147.91680945 
        147.93665085 
        147.92342325 
   
  
  
       8.04    8.09
       8.16    8.22
   
        147.42753584 
        147.45162419 
        147.43556529 
   
  
  
       8.15    8.20
       8.70    8.76
   
        185.74811898 
        185.77199119 
        185.75607638 
   
  
  
       8.12    8.18
       8.68    8.74
   
        168.17949068 
        168.18179070 
        168.18025736 
   
  
  
       7.95    8.03
       8.50    8.58
   
        206.30784288 
        206.30506570 
        206.30691715 
   
  
  
       7.48    7.54
       8.03    8.10
   
        197.89630624 
        197.89815764 
        197.89692337 
   
  
  
       7.82    7.88
       8.38    8.44
   
        197.48434247 
        197.48411665 
        197.48426719 
   
  
  
       7.01    7.07
       7.57    7.63
   
        205.94365689 
        205.90579638 
        205.93103672 
   
  
  
       6.90    6.95
       7.46    7.52
   
        192.46204324 
        192.48023358 
        192.46810668 
   
  
  
       7.18    7.24
       7.75    7.82
   
        183.82407441 
        183.78155617 
        183.80990166