vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  12:33:28 
 
 
  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 
    
   
   
           0.65592620       0.34572107       0.30971590 
           0.97150784       0.55318123       0.85652992 
           0.47733378       0.72713344       0.30037870 
           0.27541927       0.85014736       0.15597655 
           0.30339124       0.68377016       0.25264992 
           0.34239176       0.80472392       0.87401685 
           0.98197070       0.66257007       0.34956140 
           0.12706098       0.64614050       0.55390120 
           0.91586240       0.04814272       0.21324705 
           0.41027944       0.10116539       0.55256310 
           0.96252315       0.54132074       0.81684151 
           0.79089376       0.30093151       0.42449583 
           0.09268808       0.96425740       0.75840204 
           0.25101959       0.69347287       0.23839990 
           0.74586830       0.16667751       0.68018293 
           0.13648487       0.85973001       0.19530840 
           0.48738959       0.94350410       0.79000112 
           0.38827086       0.55941498       0.80665682 
           0.94965878       0.24692099       0.47904699 
           0.23147092       0.70449208       0.28496431 
           0.52724488       0.16841318       0.30728113 
           0.84838491       0.34078691       0.04379051 
           0.09939036       0.71723587       0.97298681 
           0.19111427       0.13928361       0.82062859 
           0.03493648       0.57026386       0.86442580 
           0.18120849       0.02703933       0.06335687 
           0.89118186       0.42501988       0.85871812 
           0.85040677       0.38696109       0.39759155 
           0.76197337       0.73633767       0.05343546 
           0.65303348       0.39367756       0.12149097 
           0.46087355       0.80061634       0.74556164 
           0.03903018       0.26664015       0.60230243 
           0.90676293       0.80298672       0.86918808 
           0.80901317       0.15693580       0.88859495 
           0.72289113       0.08052519       0.22100613 
   
  
  
           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 
   
  
  
          0.65592620       0.34572107       0.30971590 
          0.97150784       0.55318123       0.85652992 
          0.47733378       0.72713344       0.30037870 
          0.27541927       0.85014736       0.15597655 
          0.30339124       0.68377016       0.25264992 
          0.34239176       0.80472392       0.87401685 
          0.98197070       0.66257007       0.34956140 
          0.12706098       0.64614050       0.55390120 
          0.91586240       0.04814272       0.21324705 
          0.41027944       0.10116539       0.55256310 
          0.96252315       0.54132074       0.81684151 
          0.79089376       0.30093151       0.42449583 
          0.09268808       0.96425740       0.75840204 
          0.25101959       0.69347287       0.23839990 
          0.74586830       0.16667751       0.68018293 
          0.13648487       0.85973001       0.19530840 
          0.48738959       0.94350410       0.79000112 
          0.38827086       0.55941498       0.80665682 
          0.94965878       0.24692099       0.47904699 
          0.23147092       0.70449208       0.28496431 
          0.52724488       0.16841318       0.30728113 
          0.84838491       0.34078691       0.04379051 
          0.09939036       0.71723587       0.97298681 
          0.19111427       0.13928361       0.82062859 
          0.03493648       0.57026386       0.86442580 
          0.18120849       0.02703933       0.06335687 
          0.89118186       0.42501988       0.85871812 
          0.85040677       0.38696109       0.39759155 
          0.76197337       0.73633767       0.05343546 
          0.65303348       0.39367756       0.12149097 
          0.46087355       0.80061634       0.74556164 
          0.03903018       0.26664015       0.60230243 
          0.90676293       0.80298672       0.86918808 
          0.80901317       0.15693580       0.88859495 
          0.72289113       0.08052519       0.22100613 
  
 
 
  
       5.31    5.37
       5.79    5.85
   
         24.76344702 
        289.21686918 
      -2230.78982238 
       -298.96628794 
       3170.77583059 
      -2609.60722799 
         -0.00384439 
       -176.11936030 
       3755.32434067 
       1924.59394447 
       1924.59778886 
       1924.59522593 
   
  
  
       8.28    8.33
       8.28    8.34
   
       1144.60950371 
       1144.60647884 
       1144.60849542 
   
  
  
       8.44    8.49
       8.45    8.50
   
        889.22354472 
        889.25364881 
        889.23357941 
   
  
  
       6.83    6.89
       6.83    6.89
   
        822.94262578 
        822.98179912 
        822.95568356 
   
  
  
       6.82    6.88
       6.93    7.00
   
        803.29418623 
        803.34520616 
        803.31119287 
   
  
  
       7.09    7.14
       7.65    7.70
   
        950.55067983 
        950.54758063 
        950.54964677 
   
  
  
       6.72    6.78
       7.28    7.34
   
        927.57020553 
        927.58166133 
        927.57402413 
   
  
  
       6.34    6.40
       6.90    6.96
   
       1008.91819171 
       1008.89270173 
       1008.90969505 
   
  
  
       6.77    6.82
       7.32    7.38
   
       1006.16678054 
       1006.15838492 
       1006.16398200 
   
  
  
       7.01    7.07
       7.56    7.63
   
        992.24926139 
        992.21637611 
        992.23829963 
   
  
  
       7.07    7.12
       7.62    7.68
   
        993.01047852 
        993.04000901 
        993.02032202 
   
  
  
       6.50    6.56
       7.07    7.13
   
       1003.01928359 
       1003.02206291 
       1003.02021003 
   
  
  
       6.79    6.84
       7.36    7.42
   
        999.86960742 
        999.88810053 
        999.87577179 
   
  
  
       7.12    7.20
       7.68    7.77
   
       1005.74712155 
       1005.76647252 
       1005.75357187 
   
  
  
       6.44    6.49
       7.00    7.06
   
       1006.49940842 
       1006.47727811 
       1006.49203165 
   
  
  
       7.35    7.40
       7.92    7.98
   
       1003.00001182 
       1003.00413832 
       1003.00138732 
   
  
  
       6.81    6.88
       7.40    7.47
   
       1004.70603230 
       1004.69768288 
       1004.70324916 
   
  
  
       7.27    7.37
       7.85    7.95
   
       1004.59796348 
       1004.57683177 
       1004.59091957 
   
  
  
       6.79    6.84
       7.36    7.42
   
       1006.32190659 
       1006.35409573 
       1006.33263631 
   
  
  
       6.49    6.54
       7.06    7.12
   
       1005.60630544 
       1005.63075323 
       1005.61445470 
   
  
  
       7.14    7.20
       7.71    7.78
   
       1006.29100154 
       1006.33939644 
       1006.30713317 
   
  
  
       7.16    7.22
       7.74    7.80
   
       1006.04249493 
       1006.06723180 
       1006.05074056 
   
  
  
       6.49    6.57
       7.06    7.14
   
       1006.08460651 
       1006.11058172 
       1006.09326491 
   
  
  
       5.95    6.02
       6.53    6.60
   
       1006.95586751 
       1006.92744602 
       1006.94639368 
   
  
  
       6.75    6.83
       7.32    7.40
   
       1006.53167838 
       1006.51493520 
       1006.52609732 
   
  
  
       4.94    5.01
       5.55    5.63
   
       1007.00988105 
       1006.97774809 
       1006.99917006 
   
  
  
       5.06    5.12
       5.63    5.70
   
       1007.03901242 
       1007.01033961 
       1007.02945482 
   
  
  
       5.29    5.34
       5.87    5.93
   
       1007.12680774 
       1007.09821457 
       1007.11727668 
   
  
  
       5.24    5.30
       5.82    5.88
   
       1007.11006789 
       1007.08033238 
       1007.10015605