vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 10 21 
  20:23:52 
 
 
  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      0.73000000      0.32000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.28704001       0.07284742       0.87774076 
           0.97421173       0.73718921       0.25724348 
           0.54515574       0.79209926       0.96314373 
           0.45871630       0.65879268       0.25543669 
           0.15714315       0.86754065       0.05973755 
           0.59873126       0.83052707       0.02996176 
           0.11331011       0.84050945       0.97744417 
           0.42683903       0.74889652       0.29151952 
           0.50958676       0.53981036       0.92666366 
           0.11005686       0.64315564       0.92342163 
           0.21353574       0.05168199       0.89812579 
           0.54173128       0.23325829       0.28051807 
           0.00561220       0.31503102       0.19314578 
           0.73752903       0.93613937       0.57127979 
           0.13565534       0.69428672       0.94083144 
           0.43841126       0.80895140       0.31241240 
           0.38523852       0.71567222       0.63801634 
           0.03287702       0.34493778       0.17657110 
           0.56919201       0.27527128       0.24370502 
           0.08073290       0.57289084       0.42277433 
           0.50830427       0.57580241       0.98201422 
           0.59928774       0.37097398       0.10015555 
           0.89838316       0.75253773       0.24730799 
           0.32595080       0.00627174       0.81849425 
           0.59235373       0.68569305       0.62418669 
           0.54717020       0.38385866       0.43804312 
           0.07391052       0.64448953       0.96818942 
           0.57677166       0.36159443       0.06038941 
           0.79442951       0.61520456       0.57494700 
           0.94507320       0.08428969       0.27002305 
           0.96397057       0.07734529       0.04643176 
           0.02228601       0.00841571       0.65285981 
           0.81661518       0.42973794       0.05179842 
           0.25765548       0.35945279       0.86223361 
           0.75034738       0.93928982       0.20329138 
           0.58114830       0.38678991       0.66288257 
           0.29394872       0.94889351       0.59903992 
           0.99227690       0.07389425       0.64002270 
           0.82462785       0.50549304       0.66752447 
           0.04621285       0.51124045       0.43646987 
           0.40855661       0.93824642       0.54080056 
           0.42517581       0.89671022       0.46728506 
           0.80104814       0.55425710       0.60728437 
   
  
  
           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 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       80
       -1
       -1
       111.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -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      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
   
  
  
       98
       80
       80
      196
      160
      160
    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      0.77000000
      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     12.01100000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
        62.79069767
         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  
  
 
 
        43 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       5Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       7O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      25H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.28704001       0.07284742       0.87774076 
          0.97421173       0.73718921       0.25724348 
          0.54515574       0.79209926       0.96314373 
          0.45871630       0.65879268       0.25543669 
          0.15714315       0.86754065       0.05973755 
          0.59873126       0.83052707       0.02996176 
          0.11331011       0.84050945       0.97744417 
          0.42683903       0.74889652       0.29151952 
          0.50958676       0.53981036       0.92666366 
          0.11005686       0.64315564       0.92342163 
          0.21353574       0.05168199       0.89812579 
          0.54173128       0.23325829       0.28051807 
          0.00561220       0.31503102       0.19314578 
          0.73752903       0.93613937       0.57127979 
          0.13565534       0.69428672       0.94083144 
          0.43841126       0.80895140       0.31241240 
          0.38523852       0.71567222       0.63801634 
          0.03287702       0.34493778       0.17657110 
          0.56919201       0.27527128       0.24370502 
          0.08073290       0.57289084       0.42277433 
          0.50830427       0.57580241       0.98201422 
          0.59928774       0.37097398       0.10015555 
          0.89838316       0.75253773       0.24730799 
          0.32595080       0.00627174       0.81849425 
          0.59235373       0.68569305       0.62418669 
          0.54717020       0.38385866       0.43804312 
          0.07391052       0.64448953       0.96818942 
          0.57677166       0.36159443       0.06038941 
          0.79442951       0.61520456       0.57494700 
          0.94507320       0.08428969       0.27002305 
          0.96397057       0.07734529       0.04643176 
          0.02228601       0.00841571       0.65285981 
          0.81661518       0.42973794       0.05179842 
          0.25765548       0.35945279       0.86223361 
          0.75034738       0.93928982       0.20329138 
          0.58114830       0.38678991       0.66288257 
          0.29394872       0.94889351       0.59903992 
          0.99227690       0.07389425       0.64002270 
          0.82462785       0.50549304       0.66752447 
          0.04621285       0.51124045       0.43646987 
          0.40855661       0.93824642       0.54080056 
          0.42517581       0.89671022       0.46728506 
          0.80104814       0.55425710       0.60728437 
  
 
 
  
       1.14    1.26
       2.01    2.13
   
          9.57847877 
        193.68756829 
      -3959.31604439 
        258.69042734 
       3570.94830049 
      -3499.21096548 
         -0.04052747 
       -575.04029927 
       4735.90026324 
        735.19720153 
        735.23772900 
        735.21071069 
   
  
  
       2.28    2.28
       2.28    2.28
   
        115.39058019 
        115.40359870 
        115.39491969 
   
  
  
       1.82    1.82
       1.82    1.82
   
       -148.33643160 
       -148.22305875 
       -148.29864065 
   
  
  
       1.64    1.65
       1.65    1.65
   
       -175.14575093 
       -174.99548477 
       -175.09566221 
   
  
  
       1.77    1.77
       1.88    1.89
   
       -175.60848602 
       -175.46002757 
       -175.55899987 
   
  
  
       1.26    1.27
       2.16    2.17
   
       -169.08112455 
       -168.99646530 
       -169.05290480 
   
  
  
       1.52    1.52
       2.86    2.86
   
       -155.13819723 
       -155.06274774 
       -155.11304740 
   
  
  
       1.27    1.28
       2.39    2.40
   
       -151.05240177 
       -151.10127550 
       -151.06869301 
   
  
  
       1.16    1.16
       2.21    2.22
   
       -143.56695389 
       -143.53330574 
       -143.55573784 
   
  
  
       1.43    1.43
       2.53    2.53
   
       -142.90114483 
       -142.98193854 
       -142.92807606 
   
  
  
       1.31    1.32
       2.28    2.29
   
       -141.65899034 
       -141.49972585 
       -141.60590217 
   
  
  
       1.39    1.39
       2.34    2.35
   
       -140.72123647 
       -140.74208389 
       -140.72818561 
   
  
  
       1.29    1.29
       2.20    2.20
   
       -142.53645923 
       -142.28336846 
       -142.45209564 
   
  
  
       1.33    1.33
       2.31    2.32
   
       -139.43171927 
       -139.06888452 
       -139.31077435 
   
  
  
       1.24    1.24
       2.30    2.30
   
       -139.10396543 
       -138.89302491 
       -139.03365192 
   
  
  
       1.38    1.38
       2.48    2.48
   
       -138.86863444 
       -138.90479612 
       -138.88068833 
   
  
  
       1.31    1.32
       2.35    2.35
   
       -138.58980595 
       -138.43020613 
       -138.53660601 
   
  
  
       1.16    1.16
       2.14    2.14
   
       -138.94556469 
       -138.56172845 
       -138.81761928 
   
  
  
       1.36    1.36
       2.52    2.52
   
       -137.87167565 
       -137.41784352 
       -137.72039827 
   
  
  
       1.29    1.30
       2.45    2.45
   
       -137.99835887 
       -137.52225282 
       -137.83965686 
   
  
  
       1.32    1.32
       2.31    2.31
   
       -137.99647954 
       -137.50026573 
       -137.83107494 
   
  
  
       1.24    1.24
       2.38    2.38
   
       -137.97209395 
       -137.62732468 
       -137.85717086 
   
  
  
       1.27    1.28
       2.37    2.39
   
       -137.93580282 
       -137.43697611 
       -137.76952725 
   
  
  
       1.40    1.40
       2.44    2.45
   
       -137.98876628 
       -137.53224485 
       -137.83659247 
   
  
  
       1.28    1.28
       2.40    2.41
   
       -137.94822915 
       -137.45250111 
       -137.78298647 
   
  
  
       1.35    1.35
       2.50    2.50
   
       -137.93509330 
       -137.49930024 
       -137.78982894 
   
  
  
       1.23    1.24
       2.29    2.30
   
       -137.98390577 
       -137.47177038 
       -137.81319397 
   
  
  
       1.30    1.31
       2.47    2.47
   
       -137.93344461 
       -137.44603118 
       -137.77097347 
   
  
  
       1.19    1.19
       2.32    2.32
   
       -137.93626643 
       -137.39902353 
       -137.75718546 
   
  
  
       1.36    1.36
       2.56    2.56
   
       -137.92744781 
       -137.39255760 
       -137.74915107 
   
  
  
       1.16    1.16
       2.42    2.42
   
       -137.99331927 
       -137.37222256 
       -137.78628703 
   
  
  
       1.32    1.33
       2.47    2.49
   
       -137.95083985 
       -137.49983759 
       -137.80050576 
   
  
  
       1.12    1.13
       2.24    2.26
   
       -138.03062660 
       -137.65264932 
       -137.90463417 
   
  
  
       1.14    1.15
       2.35    2.35
   
       -137.96841886 
       -137.56599814 
       -137.83427862 
   
  
  
       1.33    1.33
       2.57    2.57
   
       -137.96266110 
       -137.49933465 
       -137.80821895 
   
  
  
       1.23    1.24
       2.35    2.35
   
       -137.97638323 
       -137.43315170 
       -137.79530606 
   
  
  
       1.27    1.27
       2.42    2.42
   
       -137.99181470 
       -137.47626810 
       -137.81996583 
   
  
  
       1.11    1.12
       2.34    2.36
   
       -137.99768244 
       -137.47219520 
       -137.82252003 
   
  
  
       1.22    1.22
       2.30    2.31
   
       -138.00362115 
       -137.48120616 
       -137.82948282 
   
  
  
       1.08    1.15
       2.27    2.42
   
       -138.00663874 
       -137.47555723 
       -137.82961157