vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 10 21 
  20:23:54 
 
 
  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 
    
   
   
           0.61797290       0.31369214       0.41744377 
           0.86140501       0.29559538       0.10481703 
           0.25347772       0.81681871       0.54013429 
           0.89485645       0.82772575       0.45545445 
           0.50084481       0.04328843       0.05469393 
           0.86085287       0.21765232       0.03753523 
           0.33242944       0.76369063       0.07967661 
           0.19682699       0.43612123       0.74743071 
           0.24703853       0.38683732       0.31468206 
           0.93354049       0.96438151       0.81531449 
           0.81902839       0.17446809       0.55330493 
           0.94465144       0.71747876       0.23462686 
           0.12894825       0.77959780       0.38463263 
           0.78050205       0.41199136       0.10499069 
           0.28963987       0.36563281       0.29030934 
           0.68793566       0.89458422       0.60229577 
           0.37255100       0.76490912       0.37632151 
           0.03824826       0.43601015       0.33325068 
           0.69088745       0.84491934       0.50666225 
           0.75913821       0.44372960       0.07932626 
           0.73705542       0.47242787       0.75324922 
           0.55735110       0.13665416       0.77319975 
           0.68912397       0.30978709       0.37535969 
           0.79296675       0.12813817       0.27461675 
           0.97603090       0.66721597       0.22356757 
           0.14147182       0.23189773       0.91866421 
           0.57471762       0.94019139       0.17221649 
           0.80841273       0.76609106       0.79659640 
           0.53416693       0.13204635       0.45455834 
           0.38193339       0.03242273       0.03167068 
           0.56411956       0.97346797       0.14587322 
           0.38907871       0.38630716       0.05581925 
           0.41628659       0.92746451       0.99783560 
           0.96183477       0.99674144       0.85822983 
           0.76498820       0.43589087       0.75337518 
           0.80945589       0.14980176       0.31464555 
           0.16535288       0.43480075       0.69550188 
           0.16314929       0.54102987       0.35204950 
           0.18464100       0.88474048       0.57217132 
           0.42778040       0.99105642       0.02874754 
           0.83929990       0.77758196       0.86121033 
           0.50806297       0.65831255       0.77921357 
           0.65917344       0.89988250       0.53601312 
   
  
  
           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 
   
  
  
          0.61797290       0.31369214       0.41744377 
          0.86140501       0.29559538       0.10481703 
          0.25347772       0.81681871       0.54013429 
          0.89485645       0.82772575       0.45545445 
          0.50084481       0.04328843       0.05469393 
          0.86085287       0.21765232       0.03753523 
          0.33242944       0.76369063       0.07967661 
          0.19682699       0.43612123       0.74743071 
          0.24703853       0.38683732       0.31468206 
          0.93354049       0.96438151       0.81531449 
          0.81902839       0.17446809       0.55330493 
          0.94465144       0.71747876       0.23462686 
          0.12894825       0.77959780       0.38463263 
          0.78050205       0.41199136       0.10499069 
          0.28963987       0.36563281       0.29030934 
          0.68793566       0.89458422       0.60229577 
          0.37255100       0.76490912       0.37632151 
          0.03824826       0.43601015       0.33325068 
          0.69088745       0.84491934       0.50666225 
          0.75913821       0.44372960       0.07932626 
          0.73705542       0.47242787       0.75324922 
          0.55735110       0.13665416       0.77319975 
          0.68912397       0.30978709       0.37535969 
          0.79296675       0.12813817       0.27461675 
          0.97603090       0.66721597       0.22356757 
          0.14147182       0.23189773       0.91866421 
          0.57471762       0.94019139       0.17221649 
          0.80841273       0.76609106       0.79659640 
          0.53416693       0.13204635       0.45455834 
          0.38193339       0.03242273       0.03167068 
          0.56411956       0.97346797       0.14587322 
          0.38907871       0.38630716       0.05581925 
          0.41628659       0.92746451       0.99783560 
          0.96183477       0.99674144       0.85822983 
          0.76498820       0.43589087       0.75337518 
          0.80945589       0.14980176       0.31464555 
          0.16535288       0.43480075       0.69550188 
          0.16314929       0.54102987       0.35204950 
          0.18464100       0.88474048       0.57217132 
          0.42778040       0.99105642       0.02874754 
          0.83929990       0.77758196       0.86121033 
          0.50806297       0.65831255       0.77921357 
          0.65917344       0.89988250       0.53601312 
  
 
 
  
       1.85    1.91
       2.91    2.97
   
          9.57847877 
       -543.48288892 
      -3287.33128591 
        254.52410263 
       3570.94830049 
      -3499.21096548 
         -0.02924363 
       -592.06972175 
       4735.90026324 
        648.82703946 
        648.85628309 
        648.83678734 
   
  
  
       2.23    2.24
       2.23    2.24
   
         93.75479017 
         93.73535649 
         93.74831227 
   
  
  
       1.85    1.86
       1.85    1.86
   
       -138.99010176 
       -138.85449256 
       -138.94489869 
   
  
  
       1.57    1.58
       1.57    1.58
   
       -169.33565504 
       -169.20951066 
       -169.29360691 
   
  
  
       1.42    1.42
       1.51    1.52
   
       -170.14820146 
       -170.02128915 
       -170.10589736 
   
  
  
       0.86    0.86
       1.93    1.93
   
       -238.39630780 
       -238.33680716 
       -238.37647425 
   
  
  
       1.23    1.24
       2.19    2.20
   
       -145.64995307 
       -145.56702497 
       -145.62231037 
   
  
  
       1.27    1.27
       2.65    2.65
   
       -136.84444490 
       -136.77731990 
       -136.82206990 
   
  
  
       1.02    1.04
       2.26    2.27
   
       -130.85371910 
       -130.71966977 
       -130.80903599 
   
  
  
       1.43    1.43
       2.40    2.40
   
       -135.57539047 
       -135.53041688 
       -135.56039928 
   
  
  
       1.21    1.21
       2.24    2.24
   
       -130.03469731 
       -129.76664287 
       -129.94534583 
   
  
  
       1.44    1.44
       2.46    2.46
   
       -131.94558358 
       -131.84975782 
       -131.91364166 
   
  
  
       1.21    1.21
       2.29    2.29
   
       -131.76902352 
       -131.82249134 
       -131.78684613 
   
  
  
       1.15    1.16
       2.15    2.17
   
       -126.65962502 
       -126.36783830 
       -126.56236278 
   
  
  
       1.16    1.17
       2.29    2.30
   
       -124.41403855 
       -124.35695618 
       -124.39501109 
   
  
  
       1.28    1.29
       2.39    2.41
   
       -125.09333523 
       -125.24786530 
       -125.14484525 
   
  
  
       1.41    1.43
       2.56    2.57
   
       -124.03703971 
       -124.18332044 
       -124.08579996 
   
  
  
       1.14    1.15
       2.33    2.34
   
       -123.89112976 
       -124.07953564 
       -123.95393172 
   
  
  
       1.27    1.27
       2.39    2.39
   
       -122.75651588 
       -122.63597983 
       -122.71633720 
   
  
  
       1.34    1.34
       2.41    2.41
   
       -122.91689478 
       -123.12901013 
       -122.98759990 
   
  
  
       1.29    1.30
       2.33    2.34
   
       -121.75964744 
       -121.83149009 
       -121.78359499 
   
  
  
       1.23    1.23
       2.19    2.19
   
       -121.48582213 
       -121.19798017 
       -121.38987481 
   
  
  
       1.23    1.23
       2.39    2.39
   
       -121.29168975 
       -120.76795628 
       -121.11711193 
   
  
  
       1.10    1.10
       2.19    2.20
   
       -121.29334976 
       -120.73538112 
       -121.10736021 
   
  
  
       1.34    1.35
       2.50    2.51
   
       -121.38768125 
       -120.98469436 
       -121.25335229 
   
  
  
       1.26    1.27
       2.45    2.45
   
       -121.54455848 
       -120.85212652 
       -121.31374782 
   
  
  
       1.17    1.17
       2.29    2.29
   
       -121.14294635 
       -120.44596308 
       -120.91061859 
   
  
  
       1.32    1.32
       2.48    2.48
   
       -121.29389463 
       -120.85543900 
       -121.14774276 
   
  
  
       1.24    1.24
       2.35    2.35
   
       -121.32031671 
       -120.72332028 
       -121.12131790 
   
  
  
       1.20    1.20
       2.31    2.31
   
       -121.29736796 
       -120.71056350 
       -121.10176647 
   
  
  
       1.23    1.23
       2.46    2.46
   
       -121.26835985 
       -120.73937957 
       -121.09203309 
   
  
  
       1.27    1.29
       2.38    2.39
   
       -121.26390836 
       -120.60040140 
       -121.04273937 
   
  
  
       1.31    1.32
       2.44    2.45
   
       -121.30572339 
       -120.68137576 
       -121.09760751 
   
  
  
       1.15    1.16
       2.26    2.27
   
       -121.30089194 
       -120.55552219 
       -121.05243535 
   
  
  
       1.14    1.15
       2.32    2.33
   
       -121.29444914 
       -120.63179558 
       -121.07356462 
   
  
  
       1.17    1.18
       2.25    2.26
   
       -121.30838931 
       -120.66931427 
       -121.09536430 
   
  
  
       1.37    1.37
       2.38    2.38
   
       -121.30491740 
       -120.66446796 
       -121.09143425 
   
  
  
       1.07    1.08
       2.24    2.25
   
       -121.31527100 
       -120.67002067 
       -121.10018755 
   
  
  
       1.35    1.36
       2.40    2.41
   
       -121.32044539 
       -120.69294394 
       -121.11127824 
   
  
  
       1.19    1.30
       2.35    2.62
   
       -121.32523983 
       -120.69293509 
       -121.11447158