vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  10:53:23 
 
 
  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      0.32000000      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 
    
   
   
           0.93077813       0.52792924       0.10816133 
           0.85046124       0.23262050       0.42800660 
           0.13625056       0.44766577       0.19565317 
           0.09321283       0.28253337       0.33313111 
           0.81795017       0.33296547       0.02640649 
           0.95734581       0.42132034       0.51873379 
           0.08172457       0.33318052       0.13705000 
           0.19875612       0.40687928       0.39047937 
           0.83214511       0.54489790       0.52072972 
           0.77152548       0.24369601       0.88260701 
           0.06123843       0.51064199       0.65290015 
           0.01384504       0.20521357       0.76139913 
           0.90181260       0.31006416       0.59284205 
           0.86418881       0.44386097       0.95519859 
           0.13780533       0.32321317       0.73683328 
           0.09804389       0.43446710       0.81920187 
           0.42301348       0.46029214       0.12170468 
           0.36347929       0.29200000       0.42115221 
           0.68987364       0.48390314       0.20870704 
           0.64309685       0.31320104       0.34121518 
           0.32517263       0.31685522       0.01023854 
           0.43456199       0.43814140       0.52088963 
           0.56153656       0.34640918       0.14130373 
           0.69288597       0.42875051       0.40034307 
           0.31897784       0.55606843       0.55124780 
           0.27432060       0.23106297       0.86479021 
           0.59994133       0.51600586       0.65451296 
           0.53816800       0.20902061       0.75137329 
           0.39681635       0.32827240       0.62401676 
           0.36813002       0.42605101       0.91989259 
           0.67012174       0.32597000       0.72763177 
           0.63071943       0.43623445       0.81468957 
           0.65334901       0.70368196       0.62356225 
           0.66905275       0.71596553       0.56044046 
           0.45515875       0.57963695       0.67484684 
   
  
  
           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
      105
       -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  
          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
           0.00000002
           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
   
  
  
       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 
   
  
  
          0.93077813       0.52792924       0.10816133 
          0.85046124       0.23262050       0.42800660 
          0.13625056       0.44766577       0.19565317 
          0.09321283       0.28253337       0.33313111 
          0.81795017       0.33296547       0.02640649 
          0.95734581       0.42132034       0.51873379 
          0.08172457       0.33318052       0.13705000 
          0.19875612       0.40687928       0.39047937 
          0.83214511       0.54489790       0.52072972 
          0.77152548       0.24369601       0.88260701 
          0.06123843       0.51064199       0.65290015 
          0.01384504       0.20521357       0.76139913 
          0.90181260       0.31006416       0.59284205 
          0.86418881       0.44386097       0.95519859 
          0.13780533       0.32321317       0.73683328 
          0.09804389       0.43446710       0.81920187 
          0.42301348       0.46029214       0.12170468 
          0.36347929       0.29200000       0.42115221 
          0.68987364       0.48390314       0.20870704 
          0.64309685       0.31320104       0.34121518 
          0.32517263       0.31685522       0.01023854 
          0.43456199       0.43814140       0.52088963 
          0.56153656       0.34640918       0.14130373 
          0.69288597       0.42875051       0.40034307 
          0.31897784       0.55606843       0.55124780 
          0.27432060       0.23106297       0.86479021 
          0.59994133       0.51600586       0.65451296 
          0.53816800       0.20902061       0.75137329 
          0.39681635       0.32827240       0.62401676 
          0.36813002       0.42605101       0.91989259 
          0.67012174       0.32597000       0.72763177 
          0.63071943       0.43623445       0.81468957 
          0.65334901       0.70368196       0.62356225 
          0.66905275       0.71596553       0.56044046 
          0.45515875       0.57963695       0.67484684 
  
 
 
  
      12.47   12.50
      13.98   14.00
   
         24.76344702 
       8977.22277287 
     -12259.17236233 
       -264.20104882 
       3167.08814863 
      -2605.71786812 
         -0.00484151 
       -196.91001407 
       3755.32434067 
        598.39257435 
        598.39741587 
        598.39418819 
   
  
  
      15.48   15.50
      15.48   15.50
   
        -88.97314524 
        -88.96935320 
        -88.97188123 
   
  
  
      14.84   14.87
      14.84   14.87
   
       -162.43447294 
       -162.41200259 
       -162.42698282 
   
  
  
      15.37   15.42
      15.37   15.43
   
       -165.46102046 
       -165.43677725 
       -165.45293939 
   
  
  
      15.99   16.06
      16.15   16.22
   
       -165.61135128 
       -165.58708528 
       -165.60326262 
   
  
  
      14.68   14.73
      16.31   16.37
   
      -4921.89125687 
      -4921.86799383 
      -4921.88350252 
   
  
  
      14.04   14.10
      15.00   15.07
   
       -120.67452573 
       -120.68379875 
       -120.67761674 
   
  
  
      15.39   15.43
      16.19   16.24
   
       -137.94739688 
       -137.92604900 
       -137.94028092 
   
  
  
      15.06   15.10
      15.91   15.95
   
       -155.98102804 
       -155.94731009 
       -155.96978873 
   
  
  
      18.44   18.51
      19.23   19.30
   
      -2270.14462557 
      -2270.12647615 
      -2270.13857576 
   
  
  
      13.79   13.83
      14.63   14.67
   
       -125.87777610 
       -125.87557856 
       -125.87704359 
   
  
  
      17.47   17.51
      18.32   18.36
   
      -1215.30872493 
      -1215.32268416 
      -1215.31337800 
   
  
  
      14.75   14.80
      15.56   15.61
   
       -139.70143802 
       -139.69254807 
       -139.69847470 
   
  
  
      15.17   15.21
      15.99   16.04
   
       -147.74473653 
       -147.74092266 
       -147.74346524 
   
  
  
      13.37   13.43
      14.27   14.32
   
       -166.63999936 
       -166.64376772 
       -166.64125548 
   
  
  
      14.41   14.45
      15.22   15.26
   
       -152.87938995 
       -152.88285652 
       -152.88054547 
   
  
  
      11.97   12.02
      12.80   12.85
   
       -182.74300849 
       -182.74840712 
       -182.74480803 
   
  
  
      12.95   13.01
      13.78   13.84
   
       -158.59064986 
       -158.60036063 
       -158.59388678 
   
  
  
      13.47   13.52
      14.38   14.43
   
       -156.42573031 
       -156.44846642 
       -156.43330901 
   
  
  
      20.53   20.60
      21.63   21.70
   
     -25509.97972384 
     -25509.98169194 
     -25509.98037987 
   
  
  
      12.95   12.99
      13.81   13.86
   
       -121.04162619 
       -121.04877806 
       -121.04401015 
   
  
  
      19.86   19.91
      20.86   20.91
   
    **************** 
    **************** 
    **************** 
   
  
  
      13.70   13.78
      14.58   14.66
   
        125.86448129 
        125.87454973 
        125.86783744 
   
  
  
      15.72   15.76
      16.75   16.79
   
       -120.39751209 
       -120.40240932 
       -120.39914450 
   
  
  
      15.75   15.80
      16.61   16.66
   
       -170.54358229 
       -170.56064983 
       -170.54927147 
   
  
  
      14.59   14.65
      15.43   15.48
   
       -170.33227990 
       -170.35930263 
       -170.34128748 
   
  
  
      13.66   13.71
      14.47   14.54
   
     -50205.07094206 
     -50205.07760766 
     -50205.07316393 
   
  
  
       9.79    9.83
      10.75   10.79
   
       -117.33631313 
       -117.32167913 
       -117.33143513 
   
  
  
      10.77   10.82
      11.61   11.65
   
       -151.91379634 
       -151.90521696 
       -151.91093655 
   
  
  
      10.43   10.49
      11.32   11.38
   
       -171.94095473 
       -171.96698293 
       -171.94963080 
   
  
  
       9.04    9.09
       9.87    9.92
   
       -173.16501460 
       -173.19200736 
       -173.17401219 
   
  
  
      11.41   11.43
      12.26   12.29
   
      -2347.50829379 
      -2347.49836466 
      -2347.50498408 
   
  
  
       4.15    4.20
       5.19    5.24
   
       -161.32809107 
       -161.35712273 
       -161.33776829 
   
  
  
       5.09    5.15
       6.08    6.13
   
       -580.82687138 
       -580.79873726 
       -580.81749334 
   
  
  
       4.64    4.67
       5.48    5.50
   
      -4569.46082361 
      -4569.43187637 
      -4569.45117453 
   
  
  
       4.54    4.56
       5.27    5.30
   
       -167.08755876 
       -167.11485656 
       -167.09665802 
   
  
  
       4.54    4.57
       5.28    5.30
   
       -171.41847246 
       -171.44577231 
       -171.42757241 
   
  
  
       3.97    4.00
       4.70    4.74
   
       -170.39080802 
       -170.42052494 
       -170.40071366 
   
  
  
       5.12    5.15
       5.85    5.89
   
       -182.09739538 
       -182.10278392 
       -182.09919156 
   
  
  
       4.16    4.21
       4.91    4.96
   
       -173.34991771 
       -173.37696920 
       -173.35893488 
   
  
  
       4.25    4.28
       5.02    5.05
   
       -173.58158370 
       -173.60869824 
       -173.59062188 
   
  
  
       4.09    4.15
       4.82    4.88
   
       -170.08230223 
       -170.10925693 
       -170.09128713 
   
  
  
       4.14    4.18
       4.89    4.92
   
       -173.69334111 
       -173.72031429 
       -173.70233217 
   
  
  
       4.33    4.36
       5.06    5.09
   
       -174.14451449 
       -174.17157601 
       -174.15353500 
   
  
  
       4.01    4.04
       4.76    4.80
   
    **************** 
    **************** 
    **************** 
   
  
  
       5.27    5.31
       6.00    6.04
   
      -1100.94114883 
      -1100.92552353 
      -1100.93594039 
   
  
  
       4.18    4.22
       4.91    4.95
   
       -165.09247969 
       -165.08427282 
       -165.08974407 
   
  
  
       4.66    4.69
       5.42    5.45
   
       -203.84194688 
       -203.86950794 
       -203.85113390 
   
  
  
       4.67    4.70
       5.41    5.44
   
       -236.80470446 
       -236.79205427 
       -236.80048773 
   
  
  
       4.42    4.45
       5.17    5.19
   
       -291.54493086 
       -291.51969495 
       -291.53651889 
   
  
  
       4.47    4.49
       5.20    5.23
   
       -954.51858008 
       -954.49599748 
       -954.51105255 
   
  
  
       4.25    4.29
       5.06    5.10
   
       -715.33013853 
       -715.29979860 
       -715.32002522 
   
  
  
       4.43    4.46
       5.22    5.25
   
       -612.95152871 
       -612.92913321 
       -612.94406354 
   
  
  
       4.42    4.45
       5.18    5.20
   
       -992.13983574 
       -992.11080290 
       -992.13015813 
   
  
  
       4.52    4.56
       5.26    5.30
   
      -8701.63833847 
      -8701.61811537 
      -8701.63159744 
   
  
  
       4.51    4.55
       5.25    5.29
   
     -22869.62609508 
     -22869.59497804 
     -22869.61572274 
   
  
  
       4.33    4.39
       5.10    5.15
   
      -1874.95958191 
      -1874.93774291 
      -1874.95230225 
   
  
  
       4.88    4.94
       5.64    5.69
   
     -15091.42477082 
     -15091.45603696 
     -15091.43519287 
   
  
  
       4.13    4.16
       4.90    4.93
   
       -638.60881862 
       -638.60893482 
       -638.60885735 
   
  
  
       5.03    5.05
       5.77    5.79
   
      -1890.35208174 
      -1890.34052995 
      -1890.34823114 
   
  
  
       4.69    4.72
       5.49    5.52
   
    -236516.52630069 
    -236516.50516456 
    -236516.51925531 
   
  
  
       4.70    4.73
       5.46    5.50
   
     -23904.34024026 
     -23904.33834543 
     -23904.33960865 
   
  
  
       4.82    4.84
       5.62    5.66
   
      -9503.87674813 
      -9503.87736607 
      -9503.87695411 
   
  
  
       5.01    5.05
       5.82    5.87
   
    -133532.75511204 
    -133532.75589981 
    -133532.75537463 
   
  
  
       4.92    4.95
       5.75    5.79
   
      -1199.34451111 
      -1199.34659750 
      -1199.34520658 
   
  
  
       4.69    4.73
       5.47    5.52
   
    -126048.23476830 
    -126048.24066447 
    -126048.23673369 
   
  
  
       4.19    4.24
       4.95    5.00
   
     -40923.02416302 
     -40922.99058988 
     -40923.01297197 
   
  
  
       4.28    4.31
       5.04    5.07
   
    -139411.13073868 
    -139411.14625957 
    -139411.13591231 
   
  
  
       4.37    4.40
       5.15    5.18
   
      -3797.91223807 
      -3797.89998682 
      -3797.90815432 
   
  
  
       4.33    4.37
       5.11    5.16
   
     -89410.41097817 
     -89410.40587037 
     -89410.40927557 
   
  
  
       5.58    5.61
       6.31    6.35
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.47    4.50
       5.22    5.26
   
    -571958.69233220 
    -571958.67765841 
    -571958.68744094 
   
  
  
       4.68    4.72
       5.45    5.48
   
     -59567.51823488 
     -59567.50837542 
     -59567.51494839 
   
  
  
       4.90    4.94
       5.64    5.68
   
    -163774.36709280 
    -163774.37365968 
    -163774.36928176 
   
  
  
       4.42    4.46
       5.17    5.21
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.55    4.59
       5.34    5.39
   
    -527345.17941507 
    -527345.14807839 
    -527345.16896951 
   
  
  
       4.78    4.81
       5.62    5.65
   
    **************** 
    **************** 
    **************** 
   
  
  
       5.16    5.20
       5.96    6.00
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.93    4.97
       5.70    5.74
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.57    4.59
       5.31    5.34
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.83    4.88
       5.56    5.61
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.98    5.01
       5.70    5.73
   
    **************** 
    **************** 
    **************** 
   
  
  
       5.98    6.01
       6.71    6.74
   
    **************** 
    **************** 
    ****************