vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 30 
  17:46:01 
 
 
  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      0.73000000      0.77000000      0.32000000
        2.00000000
       -0.00100000      0.01600000      0.01100000      0.00900000      0.00100000      1.27400000      0.00100000      0.00100000      0.00000000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00100000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           12.00000000       0.00000000       0.00000000 
            0.00000000      12.00000000       0.00000000 
            0.00000000       0.00000000      12.00000000 
    
       1728.00000000 
    
            0.08333333       0.00000000       0.00000000 
            0.00000000       0.08333333       0.00000000 
            0.00000000       0.00000000       0.08333333 
    
   
   
           0.53044284       0.38616734       0.47155711 
           0.57449116       0.44532628       0.35731693 
           0.59517820       0.43446249       0.58216326 
           0.55192051       0.25209658       0.46984215 
           0.39373535       0.40676732       0.47776423 
           0.27704434       0.59156902       0.55834196 
           0.51520051       0.52050848       0.28497078 
           0.59676993       0.60162698       0.23270603 
           0.59958873       0.54995341       0.61452546 
           0.63620536       0.55903348       0.73552048 
           0.65159649       0.19350405       0.43823733 
           0.73250016       0.18049371       0.53536412 
           0.32458752       0.39860854       0.57046628 
           0.22737237       0.49217982       0.57082520 
           0.47159544       0.47104608       0.22072160 
           0.45062842       0.56544492       0.33252500 
           0.55333987       0.65871405       0.17564812 
           0.66087465       0.55641210       0.18565658 
           0.63874217       0.65121209       0.29719901 
           0.65844980       0.59510596       0.55970920 
           0.51652970       0.58842997       0.60336378 
           0.63894638       0.64730926       0.76078900 
           0.71963957       0.52266141       0.74679641 
           0.57752894       0.51535565       0.79077677 
           0.62381144       0.11109381       0.40791769 
           0.69194208       0.23679680       0.36758731 
           0.80712610       0.13391633       0.50859483 
           0.69293088       0.13415117       0.60389283 
           0.75923264       0.26236028       0.56714304 
           0.37085036       0.41141116       0.64797705 
           0.18879467       0.47973112       0.65503161 
           0.16803220       0.47108982       0.50234556 
           0.33374154       0.60741323       0.78886273 
           0.27983543       0.31793389       0.57009692 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
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          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       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 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       64
       -1
       -1
        86.00000000
        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
   
   
         2
     F  
         -0.00100000      0.01600000      0.01100000      0.00900000      0.00100000      1.27400000      0.00100000      0.00100000      0.00000000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00100000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
          2.00000000
     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
           0.00000004
           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
   
  
  
       60
       60
       60
      120
      120
      120
    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
  
  
        4
        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
        30.49411765
         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  
  
 
 
        34 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    C    3
    C    3
    C    3
    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
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       5O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       8C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      20H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          12.00000000       0.00000000       0.00000000 
           0.00000000      12.00000000       0.00000000 
           0.00000000       0.00000000      12.00000000 
   
      1728.00000000 
   
           0.08333333       0.00000000       0.00000000 
           0.00000000       0.08333333       0.00000000 
           0.00000000       0.00000000       0.08333333 
   
  
  
          0.53044284       0.38616734       0.47155711 
          0.57449116       0.44532628       0.35731693 
          0.59517820       0.43446249       0.58216326 
          0.55192051       0.25209658       0.46984215 
          0.39373535       0.40676732       0.47776423 
          0.27704434       0.59156902       0.55834196 
          0.51520051       0.52050848       0.28497078 
          0.59676993       0.60162698       0.23270603 
          0.59958873       0.54995341       0.61452546 
          0.63620536       0.55903348       0.73552048 
          0.65159649       0.19350405       0.43823733 
          0.73250016       0.18049371       0.53536412 
          0.32458752       0.39860854       0.57046628 
          0.22737237       0.49217982       0.57082520 
          0.47159544       0.47104608       0.22072160 
          0.45062842       0.56544492       0.33252500 
          0.55333987       0.65871405       0.17564812 
          0.66087465       0.55641210       0.18565658 
          0.63874217       0.65121209       0.29719901 
          0.65844980       0.59510596       0.55970920 
          0.51652970       0.58842997       0.60336378 
          0.63894638       0.64730926       0.76078900 
          0.71963957       0.52266141       0.74679641 
          0.57752894       0.51535565       0.79077677 
          0.62381144       0.11109381       0.40791769 
          0.69194208       0.23679680       0.36758731 
          0.80712610       0.13391633       0.50859483 
          0.69293088       0.13415117       0.60389283 
          0.75923264       0.26236028       0.56714304 
          0.37085036       0.41141116       0.64797705 
          0.18879467       0.47973112       0.65503161 
          0.16803220       0.47108982       0.50234556 
          0.33374154       0.60741323       0.78886273 
          0.27983543       0.31793389       0.57009692 
  
 
 
  
      16.88   16.94
      17.26   17.32
   
         16.78333521 
       3839.21172949 
      -6650.60108307 
        280.90314596 
       2731.49483860 
      -2727.61980099 
          0.00975730 
       -570.07336893 
       3690.97217068 
        611.08072425 
        611.07096695 
        611.07747181 
   
  
  
      20.08   20.09
      20.08   20.10
   
        -24.60862734 
        -24.61501091 
        -24.61075520 
   
  
  
      17.11   17.12
      17.11   17.13
   
       -192.88784563 
       -192.85447175 
       -192.87672100 
   
  
  
      17.78   17.80
      17.78   17.81
   
       -200.81929192 
       -200.77674613 
       -200.80510999 
   
  
  
      18.67   18.68
      18.76   18.77
   
       -200.99904392 
       -200.95653070 
       -200.98487285 
   
  
  
      15.06   15.07
      15.55   15.57
   
       -182.88117111 
       -182.90064211 
       -182.88766144 
   
  
  
      16.53   16.55
      16.99   17.00
   
       -183.75885698 
       -183.77045301 
       -183.76272232 
   
  
  
      15.54   15.56
      16.01   16.02
   
       -182.70389759 
       -182.73325001 
       -182.71368173 
   
  
  
      15.75   15.76
      16.22   16.23
   
       -183.98204858 
       -183.99474109 
       -183.98627942 
   
  
  
      15.87   15.88
      16.37   16.38
   
       -184.04441159 
       -184.06339910 
       -184.05074076 
   
  
  
      15.31   15.33
      15.80   15.82
   
       -183.95715783 
       -183.97215632 
       -183.96215732 
   
  
  
      15.19   15.20
      15.68   15.69
   
       -184.07453802 
       -184.09006385 
       -184.07971330 
   
  
  
      15.43   15.44
      15.89   15.90
   
       -184.07803692 
       -184.09354774 
       -184.08320719 
   
  
  
      16.27   16.29
      16.73   16.76
   
       -184.07213328 
       -184.08768819 
       -184.07731825 
   
  
  
      17.17   17.19
      17.64   17.66
   
       -184.07430856 
       -184.08984506 
       -184.07948739