vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  15:55:38 
 
 
  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
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      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 
    
   
   
           0.73619843       0.40961321       0.17748996 
           0.74270893       0.56714622       0.08222326 
           0.27653318       0.99986108       0.55381520 
           0.09065956       0.01347878       0.28323137 
           0.22990113       0.87418816       0.13422371 
           0.60215781       0.70558012       0.15070333 
           0.53774034       0.17204833       0.13984214 
           0.80252455       0.43189151       0.55876879 
           0.06058736       0.81580156       0.96194524 
           0.34253344       0.53097436       0.34541802 
           0.04626125       0.21887804       0.85484330 
           0.51384769       0.08829633       0.61397600 
           0.57313728       0.53825326       0.69983762 
           0.64785368       0.89759706       0.01964445 
           0.89077055       0.74451003       0.51890286 
           0.80237903       0.58683652       0.76991178 
           0.28053304       0.35257623       0.98227406 
           0.72785439       0.09521259       0.43757221 
           0.10455654       0.01336366       0.30143080 
           0.60488121       0.31828160       0.47776755 
           0.12627260       0.34073990       0.75400259 
           0.77188415       0.86688150       0.16352508 
           0.75780352       0.44999041       0.02850977 
           0.66119731       0.77678936       0.73157754 
           0.46874827       0.74744076       0.96481303 
           0.10458748       0.41883397       0.07640235 
           0.83729777       0.35597127       0.07822247 
           0.33080635       0.46051990       0.33222863 
           0.54519236       0.41372621       0.26274964 
           0.71898843       0.49167447       0.57926006 
           0.35988936       0.19162747       0.37241297 
           0.24177010       0.62321872       0.78679616 
           0.25130236       0.23950778       0.61328858 
           0.97330882       0.46213883       0.65083056 
           0.04238986       0.63029762       0.97430219 
   
  
  
           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 
   
  
  
          0.73619843       0.40961321       0.17748996 
          0.74270893       0.56714622       0.08222326 
          0.27653318       0.99986108       0.55381520 
          0.09065956       0.01347878       0.28323137 
          0.22990113       0.87418816       0.13422371 
          0.60215781       0.70558012       0.15070333 
          0.53774034       0.17204833       0.13984214 
          0.80252455       0.43189151       0.55876879 
          0.06058736       0.81580156       0.96194524 
          0.34253344       0.53097436       0.34541802 
          0.04626125       0.21887804       0.85484330 
          0.51384769       0.08829633       0.61397600 
          0.57313728       0.53825326       0.69983762 
          0.64785368       0.89759706       0.01964445 
          0.89077055       0.74451003       0.51890286 
          0.80237903       0.58683652       0.76991178 
          0.28053304       0.35257623       0.98227406 
          0.72785439       0.09521259       0.43757221 
          0.10455654       0.01336366       0.30143080 
          0.60488121       0.31828160       0.47776755 
          0.12627260       0.34073990       0.75400259 
          0.77188415       0.86688150       0.16352508 
          0.75780352       0.44999041       0.02850977 
          0.66119731       0.77678936       0.73157754 
          0.46874827       0.74744076       0.96481303 
          0.10458748       0.41883397       0.07640235 
          0.83729777       0.35597127       0.07822247 
          0.33080635       0.46051990       0.33222863 
          0.54519236       0.41372621       0.26274964 
          0.71898843       0.49167447       0.57926006 
          0.35988936       0.19162747       0.37241297 
          0.24177010       0.62321872       0.78679616 
          0.25130236       0.23950778       0.61328858 
          0.97330882       0.46213883       0.65083056 
          0.04238986       0.63029762       0.97430219 
  
 
 
  
       5.88    5.94
       6.36    6.42
   
         24.76344702 
       -637.14733682 
      -1866.13767439 
       -298.98776693 
       3170.77583059 
      -2609.60722799 
          0.02196698 
       -144.36145113 
       3755.32434067 
       1394.64412801 
       1394.62216103 
       1394.63680568 
   
  
  
       7.53    7.59
       7.53    7.59
   
        813.45210637 
        813.45208345 
        813.45209873 
   
  
  
       8.52    8.58
       8.52    8.58
   
        682.33061411 
        682.33358856 
        682.33160559 
   
  
  
       8.37    8.42
       8.37    8.42
   
        651.74886459 
        651.72184925 
        651.73985948 
   
  
  
       7.14    7.19
       7.25    7.31
   
        650.77566933 
        650.75075770 
        650.76736545 
   
  
  
       8.28    8.34
       8.85    8.91
   
        631.78986326 
        631.78054756 
        631.78675803 
   
  
  
       7.62    7.68
       8.21    8.27
   
        711.82735436 
        711.84637217 
        711.83369363 
   
  
  
       7.84    7.89
       8.42    8.47
   
        711.87488502 
        711.91476315 
        711.88817773 
   
  
  
       8.87    8.94
       9.44    9.52
   
        712.03744348 
        712.02693729 
        712.03394141 
   
  
  
       8.43    8.49
       9.00    9.07
   
        698.95643164 
        698.91175240 
        698.94153856 
   
  
  
       7.47    7.53
       8.05    8.11
   
        710.36986550 
        710.39657617 
        710.37876906 
   
  
  
       7.60    7.66
       8.17    8.24
   
        715.11558427 
        715.10707858 
        715.11274904 
   
  
  
       7.70    7.76
       8.28    8.34
   
        708.86804621 
        708.83973764 
        708.85861002 
   
  
  
       7.67    7.74
       8.26    8.34
   
        711.49611943 
        711.45782478 
        711.48335455 
   
  
  
       8.12    8.20
       8.70    8.78
   
        726.74089036 
        726.69770893 
        726.72649655 
   
  
  
       7.24    7.30
       7.81    7.87
   
        737.59881641 
        737.62156031 
        737.60639771 
   
  
  
       7.54    7.60
       8.10    8.16
   
        740.47546967 
        740.44697068 
        740.46597001 
   
  
  
       7.29    7.36
       7.87    7.94
   
        742.03976834 
        742.06855859 
        742.04936509 
   
  
  
       8.57    8.63
       9.15    9.22
   
        741.65828935 
        741.67214424 
        741.66290765 
   
  
  
       8.52    8.58
       9.10    9.17
   
        741.32291416 
        741.31893078 
        741.32158637 
   
  
  
       7.98    8.03
       8.55    8.61
   
        743.36577021 
        743.39304960 
        743.37486334 
   
  
  
       7.04    7.10
       7.62    7.68
   
        743.22798351 
        743.24412591 
        743.23336431 
   
  
  
       8.22    8.28
       8.83    8.88
   
        743.09319046 
        743.10538464 
        743.09725518 
   
  
  
       7.34    7.42
       7.92    8.00
   
        738.77261946 
        738.76118033 
        738.76880642 
   
  
  
       6.87    6.92
       7.45    7.51
   
        740.60345603 
        740.58875742 
        740.59855649 
   
  
  
       8.06    8.12
       8.64    8.71
   
        736.59986316 
        736.58281721 
        736.59418118 
   
  
  
       7.10    7.16
       7.68    7.74
   
        736.41604090 
        736.40082105 
        736.41096762 
   
  
  
       7.94    7.99
       8.57    8.62
   
        733.99525714 
        733.97539313 
        733.98863581 
   
  
  
       6.70    6.76
       7.31    7.37
   
        733.96277634 
        733.94644675 
        733.95733314 
   
  
  
       7.50    7.56
       8.10    8.16
   
        729.31877298 
        729.33040664 
        729.32265086 
   
  
  
       6.90    6.96
       7.48    7.55
   
        722.73943701 
        722.74060401 
        722.73982601 
   
  
  
       7.51    7.58
       8.09    8.17
   
        723.65649312 
        723.65751159 
        723.65683261 
   
  
  
       6.96    7.02
       7.55    7.61
   
        725.28989606 
        725.29543704 
        725.29174306 
   
  
  
       4.66    4.72
       5.39    5.47
   
        725.35913135 
        725.36335427 
        725.36053899 
   
  
  
       6.20    6.26
       6.85    6.92
   
        726.20163129 
        726.20607115 
        726.20311124 
   
  
  
       3.95    4.01
       4.57    4.63
   
        723.11776835 
        723.12725859 
        723.12093176 
   
  
  
       3.12    3.19
       3.76    3.82
   
        723.18742141 
        723.19702837 
        723.19062373 
   
  
  
       3.71    3.77
       4.29    4.34
   
        717.65057781 
        717.64936902 
        717.65017488 
   
  
  
       3.19    3.25
       3.76    3.82
   
        717.52283073 
        717.52156071 
        717.52240739 
   
  
  
       4.26    4.31
       4.84    4.89
   
        717.74646790 
        717.74690648 
        717.74661410 
   
  
  
       3.56    3.61
       4.14    4.20
   
        718.91639333 
        718.92700126 
        718.91992930 
   
  
  
       3.56    3.62
       4.15    4.21
   
        718.27484468 
        718.28073442 
        718.27680793 
   
  
  
       3.19    3.24
       3.78    3.83
   
        718.43949340 
        718.44714323 
        718.44204334 
   
  
  
       3.60    3.66
       4.19    4.25
   
        718.15966031 
        718.16436163 
        718.16122741 
   
  
  
       3.48    3.53
       4.07    4.12
   
        718.21304156 
        718.21891476 
        718.21499929 
   
  
  
       3.64    3.69
       4.24    4.29
   
        720.79463959 
        720.78910971 
        720.79279630 
   
  
  
       3.04    3.10
       3.64    3.70
   
        720.80100470 
        720.79414996 
        720.79871978 
   
  
  
       3.65    3.70
       4.25    4.30
   
        725.42160623 
        725.44366304 
        725.42895850 
   
  
  
       3.14    3.19
       3.73    3.79
   
        723.16932988 
        723.17580662 
        723.17148879 
   
  
  
       3.70    3.75
       4.30    4.35
   
        721.97342081 
        721.96620544 
        721.97101569 
   
  
  
       4.19    4.24
       4.78    4.83
   
        735.35583053 
        735.38516301 
        735.36560803 
   
  
  
       3.95    4.01
       4.56    4.63
   
        733.58781474 
        733.58526622 
        733.58696524 
   
  
  
       3.86    3.91
       4.48    4.53
   
        738.15009209 
        738.16546894 
        738.15521770 
   
  
  
       3.68    3.73
       4.28    4.34
   
        735.98064958 
        736.01007248 
        735.99045721 
   
  
  
       3.96    4.01
       4.56    4.61
   
        734.25825060 
        734.29791862 
        734.27147327 
   
  
  
       4.03    4.08
       4.62    4.68
   
        743.96665516 
        743.98087339 
        743.97139457 
   
  
  
       3.73    3.78
       4.31    4.36
   
        743.35170555 
        743.36041475 
        743.35460862 
   
  
  
       4.11    4.17
       4.71    4.77
   
        742.90916531 
        742.93356595 
        742.91729886 
   
  
  
       3.90    3.95
       4.49    4.54
   
        742.38490169 
        742.41496808 
        742.39492382 
   
  
  
       4.20    4.25
       4.78    4.84
   
        742.18658376 
        742.21730204 
        742.19682319 
   
  
  
       4.05    4.10
       4.63    4.69
   
        739.57368721 
        739.60622921 
        739.58453455 
   
  
  
       3.49    3.54
       4.07    4.14
   
        739.75069950 
        739.78074681 
        739.76071527 
   
  
  
       3.98    4.04
       4.56    4.62
   
        740.15465147 
        740.16585317 
        740.15838537 
   
  
  
       3.45    3.50
       4.04    4.09
   
        740.29150841 
        740.30413713 
        740.29571798 
   
  
  
       3.80    3.86
       4.39    4.45
   
        741.46949836 
        741.48208628 
        741.47369433 
   
  
  
       3.69    3.74
       4.27    4.33
   
        743.57579251 
        743.61099294 
        743.58752599 
   
  
  
       3.80    3.85
       4.39    4.45
   
        744.39888655 
        744.38264235 
        744.39347182 
   
  
  
       4.16    4.21
       4.75    4.80
   
        745.37554747 
        745.36068090 
        745.37059195 
   
  
  
       3.76    3.81
       4.36    4.42
   
        745.15500334 
        745.14489790 
        745.15163486 
   
  
  
       3.99    4.05
       4.58    4.64
   
        745.04577047 
        745.03503573 
        745.04219222 
   
  
  
       3.54    3.59
       4.12    4.18
   
        746.56152054 
        746.54057702 
        746.55453937 
   
  
  
       3.71    3.77
       4.30    4.35
   
        746.48847189 
        746.46699256 
        746.48131211 
   
  
  
       4.01    4.06
       4.60    4.65
   
        746.17781437 
        746.15472731 
        746.17011868 
   
  
  
       3.36    3.41
       3.94    4.00
   
        746.33207727 
        746.30835076 
        746.32416843 
   
  
  
       3.53    3.59
       4.12    4.17
   
        746.98858795 
        746.95913802 
        746.97877131 
   
  
  
       3.11    3.17
       3.69    3.75
   
        752.28695322 
        752.26116287 
        752.27835643 
   
  
  
       3.68    3.73
       4.26    4.32
   
        749.88825097 
        749.87255100 
        749.88301765 
   
  
  
       3.28    3.33
       3.88    3.94
   
        760.39477466 
        760.37209360 
        760.38721431 
   
  
  
       3.65    3.71
       4.25    4.31
   
        767.94088495 
        767.91176887 
        767.93117959 
   
  
  
       3.67    3.72
       4.26    4.33
   
        758.39381870 
        758.39279923 
        758.39347887 
   
  
  
       3.19    3.25
       3.78    3.84
   
        749.63429134 
        749.62829112 
        749.63229127 
   
  
  
       3.38    3.43
       3.96    4.02
   
        749.83647359 
        749.82530037 
        749.83274918 
   
  
  
       3.73    3.79
       4.32    4.38
   
        750.20871186 
        750.19088172 
        750.20276848 
   
  
  
       3.71    3.76
       4.30    4.36
   
        752.54624575 
        752.52926227 
        752.54058459 
   
  
  
       3.50    3.55
       4.08    4.13
   
        765.64368997 
        765.64923224 
        765.64553739 
   
  
  
       3.62    3.67
       4.19    4.25
   
        771.78306579 
        771.75710658 
        771.77441272 
   
  
  
       3.84    3.89
       4.44    4.50
   
        767.33620723 
        767.31180131 
        767.32807192 
   
  
  
       3.80    3.85
       4.40    4.46
   
        766.83754149 
        766.82180966 
        766.83229755 
   
  
  
       4.25    4.30
       4.82    4.88
   
        766.82975307 
        766.81509482 
        766.82486699 
   
  
  
       3.83    3.90
       4.41    4.49
   
        767.25002928 
        767.23499965 
        767.24501941