vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  22:22:15 
 
 
  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 
    
   
   
           0.33586180       0.52147219       0.82977837 
           0.68405586       0.04618114       0.18232474 
           0.25905842       0.34739581       0.22494833 
           0.43469202       0.26548901       0.56010409 
           0.06053515       0.16317028       0.98716615 
           0.51199311       0.57525737       0.84011486 
           0.31384345       0.17219577       0.22364151 
           0.66139895       0.47077159       0.48099831 
           0.54163811       0.34031329       0.16629570 
           0.13689680       0.23470330       0.78646605 
           0.42280852       0.67159752       0.13997938 
           0.75755714       0.00607220       0.22731579 
           0.77687460       0.48685862       0.92641035 
           0.87693984       0.25005160       0.82070080 
           0.09887812       0.27722969       0.73143593 
           0.24395455       0.41332094       0.47228398 
           0.31458475       0.53187821       0.24977182 
           0.77972719       0.42934088       0.44098242 
           0.31440099       0.05058794       0.82361236 
           0.27852364       0.09161192       0.77913498 
           0.80437705       0.59601712       0.26569353 
           0.14198030       0.11019639       0.66881695 
           0.27650948       0.38994835       0.66867891 
           0.28357275       0.43214755       0.44078583 
           0.56335372       0.28616665       0.59407452 
           0.77789516       0.53684330       0.10016066 
           0.09480220       0.71597365       0.31429641 
           0.70438689       0.14116939       0.86411009 
           0.34663050       0.12858356       0.67359216 
           0.00211227       0.74020290       0.70201627 
           0.21350110       0.62692050       0.05671084 
           0.45142147       0.99151122       0.75006679 
           0.37327258       0.58580390       0.94091537 
           0.14901382       0.86918136       0.72178440 
           0.46850293       0.61250664       0.33590322 
   
  
  
           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 
   
  
  
          0.33586180       0.52147219       0.82977837 
          0.68405586       0.04618114       0.18232474 
          0.25905842       0.34739581       0.22494833 
          0.43469202       0.26548901       0.56010409 
          0.06053515       0.16317028       0.98716615 
          0.51199311       0.57525737       0.84011486 
          0.31384345       0.17219577       0.22364151 
          0.66139895       0.47077159       0.48099831 
          0.54163811       0.34031329       0.16629570 
          0.13689680       0.23470330       0.78646605 
          0.42280852       0.67159752       0.13997938 
          0.75755714       0.00607220       0.22731579 
          0.77687460       0.48685862       0.92641035 
          0.87693984       0.25005160       0.82070080 
          0.09887812       0.27722969       0.73143593 
          0.24395455       0.41332094       0.47228398 
          0.31458475       0.53187821       0.24977182 
          0.77972719       0.42934088       0.44098242 
          0.31440099       0.05058794       0.82361236 
          0.27852364       0.09161192       0.77913498 
          0.80437705       0.59601712       0.26569353 
          0.14198030       0.11019639       0.66881695 
          0.27650948       0.38994835       0.66867891 
          0.28357275       0.43214755       0.44078583 
          0.56335372       0.28616665       0.59407452 
          0.77789516       0.53684330       0.10016066 
          0.09480220       0.71597365       0.31429641 
          0.70438689       0.14116939       0.86411009 
          0.34663050       0.12858356       0.67359216 
          0.00211227       0.74020290       0.70201627 
          0.21350110       0.62692050       0.05671084 
          0.45142147       0.99151122       0.75006679 
          0.37327258       0.58580390       0.94091537 
          0.14901382       0.86918136       0.72178440 
          0.46850293       0.61250664       0.33590322 
  
 
 
  
       5.05    5.06
       5.87    5.88
   
         24.76344702 
        615.41040326 
      -3392.40477223 
       -287.76396201 
       3170.77911944 
      -2609.61052727 
         -0.00174860 
       -202.70525730 
       3755.32434067 
       1073.79104298 
       1073.79279158 
       1073.79162584 
   
  
  
       6.36    6.37
       6.36    6.37
   
        390.25606850 
        390.25195573 
        390.25469757 
   
  
  
       7.39    7.40
       7.39    7.40
   
        263.05175258 
        263.03323132 
        263.04557882 
   
  
  
       7.23    7.24
       7.23    7.25
   
        251.99721969 
        251.99840380 
        251.99761439 
   
  
  
       6.98    6.99
       7.07    7.09
   
        251.51404033 
        251.52321253 
        251.51709773 
   
  
  
       6.82    6.83
       7.27    7.28
   
        308.78173545 
        308.75579212 
        308.77308767 
   
  
  
       7.38    7.39
       7.77    7.79
   
        285.94628259 
        285.99244019 
        285.96166846 
   
  
  
       7.16    7.19
       7.63    7.67
   
        303.20252876 
        303.20924217 
        303.20476656 
   
  
  
       7.44    7.47
       7.91    7.94
   
        315.01142963 
        314.99768271 
        315.00684733 
   
  
  
       5.91    5.93
       6.26    6.29
   
        316.01127795 
        315.99266383 
        316.00507324 
   
  
  
       6.36    6.38
       6.81    6.84
   
        316.16766071 
        316.19535597 
        316.17689246 
   
  
  
       6.39    6.41
       6.80    6.82
   
        316.18473047 
        316.18458451 
        316.18468182 
   
  
  
       5.69    5.76
       6.09    6.16
   
        315.74898823 
        315.75758072 
        315.75185239