vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 05 17 
  22:59:05 
 
 
  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      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           15.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1500.00000000 
    
            0.06666667       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.16970635       0.56812906       0.72888445 
           0.37856012       0.62000093       0.68694537 
           0.27447627       0.61928793       0.73108254 
           0.39286169       0.65471600       0.50385463 
           0.43595864       0.71939683       0.81977151 
           0.16451917       0.38149853       0.74325509 
           0.11489878       0.62861453       0.57202609 
           0.12738880       0.63169276       0.84836569 
           0.46101066       0.63811553       0.46577962 
           0.37857608       0.76258727       0.49806040 
           0.34697425       0.60406737       0.43319608 
           0.50196742       0.74630191       0.77972955 
           0.45099410       0.64665690       0.90090791 
           0.09456818       0.34815050       0.74676332 
           0.19761257       0.34603536       0.83480406 
           0.19650747       0.33205238       0.65730414 
           0.14573032       0.58438312       0.48236274 
           0.11982479       0.73807970       0.56369782 
           0.04375272       0.60148016       0.57199382 
           0.37380630       0.86428585       0.87010928 
           0.52774679       0.46702098       0.69592196 
           0.47744020       0.44436061       0.68025380 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
  
 
 
  
          1        2        2 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       36
       -1
       -1
        45.00000000
        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
     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
           0.00000007
           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
   
  
  
       80
       50
       50
      160
      100
      100
    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      0.77000000      0.32000000
      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     16.00000000     12.01100000      1.00000000
         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
        40.90909091
         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  
  
 
 
        22 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    O    2
    C    3
    C    3
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          15.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1500.00000000 
   
           0.06666667       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.16970635       0.56812906       0.72888445 
          0.37856012       0.62000093       0.68694537 
          0.27447627       0.61928793       0.73108254 
          0.39286169       0.65471600       0.50385463 
          0.43595864       0.71939683       0.81977151 
          0.16451917       0.38149853       0.74325509 
          0.11489878       0.62861453       0.57202609 
          0.12738880       0.63169276       0.84836569 
          0.46101066       0.63811553       0.46577962 
          0.37857608       0.76258727       0.49806040 
          0.34697425       0.60406737       0.43319608 
          0.50196742       0.74630191       0.77972955 
          0.45099410       0.64665690       0.90090791 
          0.09456818       0.34815050       0.74676332 
          0.19761257       0.34603536       0.83480406 
          0.19650747       0.33205238       0.65730414 
          0.14573032       0.58438312       0.48236274 
          0.11982479       0.73807970       0.56369782 
          0.04375272       0.60148016       0.57199382 
          0.37380630       0.86428585       0.87010928 
          0.52774679       0.46702098       0.69592196 
          0.47744020       0.44436061       0.68025380 
  
  
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       1.37    1.81
       1.89    2.32
   
          4.76039610 
       1360.11866109 
      -2350.12056037 
         94.61997452 
        988.89567318 
       -957.91857019 
         -0.00445036 
       -283.09476084 
       1414.08307395 
        271.33943706 
        271.34388743 
        271.34092052 
   
  
  
       2.70    2.76
       2.70    2.76
   
        -38.99483568 
        -38.97698186 
        -38.98888441 
   
  
  
       2.65    2.66
       2.65    2.66
   
       -115.65906586 
       -115.60681687 
       -115.64164953 
   
  
  
       2.73    2.74
       2.73    2.74
   
       -120.54624157 
       -120.48992187 
       -120.52746833 
   
  
  
       2.85    2.86
       2.96    2.97
   
       -120.66029691 
       -120.60389024 
       -120.64149469 
   
  
  
       2.46    2.48
       3.42    3.43
   
       -108.30242281 
       -108.24602349 
       -108.28362303 
   
  
  
       2.37    2.38
       3.54    3.56
   
       -106.96843814 
       -106.91204944 
       -106.94964191 
   
  
  
       1.08    1.11
       1.58    1.60
   
       -106.45921242 
       -106.40284613 
       -106.44042365 
   
  
  
       2.54    2.55
       3.24    3.25
   
       -106.32091313 
       -106.26456564 
       -106.30213064 
   
  
  
       2.52    2.53
       3.20    3.21
   
       -106.31133751 
       -106.25499463 
       -106.29255655 
   
  
  
       2.29    2.31
       2.98    3.00
   
       -106.30766789 
       -106.25133186 
       -106.28888921 
   
  
  
       2.31    2.32
       2.77    2.78
   
       -106.30751021 
       -106.25117371 
       -106.28873137 
   
  
  
       2.18    2.21
       2.64    2.67
   
       -106.31231012 
       -106.25597221 
       -106.29353081 
   
  
  
       2.18    2.24
       2.79    2.85
   
       -106.31621720 
       -106.25987669 
       -106.29743703 
   
  
  
       2.18    2.21
       2.87    2.89
   
       -106.31922066 
       -106.26287740 
       -106.30043958 
   
  
  
       2.33    2.36
       2.86    2.88
   
       -106.32266277 
       -106.26632191 
       -106.30388248 
   
  
  
       1.55    1.68
       2.09    2.22
   
       -106.32479106 
       -106.26845169 
       -106.30601127