vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 05 13 
  22:57:44 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     240
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.41000000      0.73000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            4.73727000       0.00000000       0.00000000 
            0.00000000       4.73727000       0.00000000 
            0.00000000       0.00000000      18.37276000 
    
        412.31646513 
    
            0.21109204       0.00000000       0.00000000 
            0.00000000       0.21109204       0.00000000 
            0.00000000       0.00000000       0.05442840 
    
   
   
           0.25845555       0.77107167       0.38946823 
           0.35372276       0.47547544       0.53411705 
           0.78785440       0.60139295       0.96773501 
           0.36491237       0.59904308       0.00950069 
           0.17719099       0.47713360       0.72738861 
           0.28443299       0.09976365       0.77946919 
           0.52778212       0.78351269       0.10671735 
           0.17565666       0.52267637       0.52774297 
           0.71154206       0.30149821       0.89019394 
           0.36165680       0.00477302       0.61474499 
           0.46523962       0.89125021       0.41947820 
           0.23384995       0.69210543       0.60539548 
           0.32708835       0.32272543       0.24949201 
           0.57665890       0.09861455       0.45571231 
           0.61029444       0.63209855       0.18249213 
           0.07849703       0.18187751       0.19851757 
           0.86672845       0.89303263       0.58642814 
           0.41340855       0.73388043       0.66342884 
           0.31480909       0.01680637       0.04604064 
           0.52200266       0.75898691       0.94414748 
           0.94701355       0.63319211       0.28544277 
           0.02519355       0.75754609       0.94135081 
   
  
  
           1 
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           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
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          17 
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          19 
          20 
          21 
          22 
  
 
 
  
          3        3        1 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       0.33333333       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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         -0.33333333       0.33333333       0.00000000 
  
  
          0.11111111 
          0.22222222 
          0.22222222 
          0.22222222 
          0.22222222 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
      102
       -1
       -1
       170.00000000
        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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       240
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000002
           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
   
  
  
       24
       24
       90
       48
       48
      180
    F  
  
  
        0
       -1
        0
        2
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        0
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         0.00010000
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        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
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      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
  
  
        6
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
       118.71000000     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  
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    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        11.24499450
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
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         0.00000000
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    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
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    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
      240
        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  
  
 
 
        22 
         3 
  
   ion
   element
   atomtype
   
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    Sn   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       6Sn    118.71000000     14.00000000  PAW_PBE Sn_d 06Sep2000                
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           4.73727000       0.00000000       0.00000000 
           0.00000000       4.73727000       0.00000000 
           0.00000000       0.00000000      18.37276000 
   
       412.31646513 
   
           0.21109204       0.00000000       0.00000000 
           0.00000000       0.21109204       0.00000000 
           0.00000000       0.00000000       0.05442840 
   
  
  
          0.25845555       0.77107167       0.38946823 
          0.35372276       0.47547544       0.53411705 
          0.78785440       0.60139295       0.96773501 
          0.36491237       0.59904308       0.00950069 
          0.17719099       0.47713360       0.72738861 
          0.28443299       0.09976365       0.77946919 
          0.52778212       0.78351269       0.10671735 
          0.17565666       0.52267637       0.52774297 
          0.71154206       0.30149821       0.89019394 
          0.36165680       0.00477302       0.61474499 
          0.46523962       0.89125021       0.41947820 
          0.23384995       0.69210543       0.60539548 
          0.32708835       0.32272543       0.24949201 
          0.57665890       0.09861455       0.45571231 
          0.61029444       0.63209855       0.18249213 
          0.07849703       0.18187751       0.19851757 
          0.86672845       0.89303263       0.58642814 
          0.41340855       0.73388043       0.66342884 
          0.31480909       0.01680637       0.04604064 
          0.52200266       0.75898691       0.94414748 
          0.94701355       0.63319211       0.28544277 
          0.02519355       0.75754609       0.94135081 
  
 
 
  
       2.57    3.10
       2.61    3.14
   
        333.57168661 
      -6585.48684888 
      -9457.76474514 
        741.34234587 
      14269.25296877 
     -14517.83836857 
         -0.00819155 
        254.07739187 
      17435.26881048 
       2472.41504945 
       2472.42324101 
       2472.41777997 
   
  
  
       2.68    2.90
       2.68    2.90
   
        506.96935669 
        506.96754218 
        506.96875185 
   
  
  
       2.70    3.01
       2.70    3.01
   
         68.90689355 
         68.91730091 
         68.91036267 
   
  
  
       2.66    2.85
       2.66    2.85
   
         26.47443546 
         26.43382935 
         26.46090009 
   
  
  
       3.15    3.42
       3.18    3.45
   
         24.36341862 
         24.32341656 
         24.35008460 
   
  
  
       3.39    3.55
       3.45    3.63
   
         -4.52630574 
         -4.53365836 
         -4.52875662 
   
  
  
       4.01    4.22
       4.08    4.30
   
      -1332.70330651 
      -1332.68549275 
      -1332.69736859 
   
  
  
       3.79    3.91
       3.85    3.99
   
         75.30135683 
         75.31521680 
         75.30597682 
   
  
  
       2.93    3.14
       2.99    3.22
   
         37.18771123 
         37.20551934 
         37.19364727 
   
  
  
       2.98    3.16
       3.05    3.24
   
         38.51712856 
         38.51499667 
         38.51641793 
   
  
  
       2.95    3.17
       3.02    3.25
   
         53.85669340 
         53.86829580 
         53.86056087 
   
  
  
       3.23    3.40
       3.32    3.51
   
         58.24210018 
         58.24479298 
         58.24299778 
   
  
  
       2.70    2.94
       2.77    3.01
   
         59.63143401 
         59.63804401 
         59.63363734 
   
  
  
       3.51    3.66
       3.57    3.74
   
         60.50798979 
         60.51379855 
         60.50992605 
   
  
  
       3.56    3.85
       3.63    3.93
   
         65.14285374 
         65.15458781 
         65.14676510 
   
  
  
       3.16    3.35
       3.23    3.44
   
         66.01670791 
         66.00993710 
         66.01445097 
   
  
  
       3.21    3.41
       3.29    3.52
   
         65.94480072 
         65.96555701 
         65.95171948 
   
  
  
       3.04    3.28
       3.10    3.36
   
         66.03956566 
         66.03272667 
         66.03728600 
   
  
  
       3.76    4.05
       3.82    4.26
   
         65.52389282 
         65.51592420 
         65.52123661 
   
  
  
       2.75    3.01
       2.82    3.12
   
         65.88354535 
         65.86995730 
         65.87901600 
   
  
  
       2.65    2.90
       2.72    2.99
   
         65.99829416 
         65.98856413 
         65.99505081 
   
  
  
       3.18    3.42
       3.24    3.49
   
         66.20286911 
         66.21019993 
         66.20531271 
   
  
  
       3.25    3.46
       3.33    3.55
   
         66.38296053 
         66.39885896 
         66.38826001 
   
  
  
       3.16    3.36
       3.23    3.43
   
         66.34520932 
         66.36404448 
         66.35148771 
   
  
  
       3.16    3.36
       3.23    3.46
   
         66.38595475 
         66.40535389 
         66.39242113