vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 05 17 
  22:59:06 
 
 
  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 
    
   
   
           0.17329764       0.56998673       0.72839535 
           0.38245534       0.58603860       0.67385553 
           0.28037838       0.61603040       0.73018734 
           0.39218540       0.65685128       0.50399393 
           0.47302292       0.63622840       0.78811957 
           0.16322373       0.38364857       0.74353267 
           0.11475785       0.63006967       0.57305230 
           0.12877983       0.63354757       0.84638584 
           0.46071147       0.64956078       0.46579864 
           0.37435798       0.76230633       0.51142678 
           0.34778013       0.61001258       0.43080034 
           0.50821286       0.72688996       0.76852138 
           0.46459196       0.61543718       0.88826596 
           0.09294717       0.35157296       0.74680211 
           0.19548681       0.34715140       0.83529866 
           0.19457676       0.33291095       0.65795498 
           0.14380519       0.58587628       0.48220350 
           0.11807095       0.73939715       0.56310309 
           0.04345116       0.60250414       0.57430538 
           0.34069793       0.90901882       0.90303476 
           0.52101896       0.55737514       0.75994543 
           0.41430879       0.44320918       0.66275528 
   
  
  
           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 
   
  
  
          0.17329764       0.56998673       0.72839535 
          0.38245534       0.58603860       0.67385553 
          0.28037838       0.61603040       0.73018734 
          0.39218540       0.65685128       0.50399393 
          0.47302292       0.63622840       0.78811957 
          0.16322373       0.38364857       0.74353267 
          0.11475785       0.63006967       0.57305230 
          0.12877983       0.63354757       0.84638584 
          0.46071147       0.64956078       0.46579864 
          0.37435798       0.76230633       0.51142678 
          0.34778013       0.61001258       0.43080034 
          0.50821286       0.72688996       0.76852138 
          0.46459196       0.61543718       0.88826596 
          0.09294717       0.35157296       0.74680211 
          0.19548681       0.34715140       0.83529866 
          0.19457676       0.33291095       0.65795498 
          0.14380519       0.58587628       0.48220350 
          0.11807095       0.73939715       0.56310309 
          0.04345116       0.60250414       0.57430538 
          0.34069793       0.90901882       0.90303476 
          0.52101896       0.55737514       0.75994543 
          0.41430879       0.44320918       0.66275528 
  
  
     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 
  
 
 
  
       1.17    1.51
       1.59    1.94
   
          4.76039610 
       1395.59724571 
      -2375.25340672 
         95.35128619 
        988.89567318 
       -957.91857019 
          0.00129755 
       -295.49747018 
       1414.08307395 
        270.01952559 
        270.01822804 
        270.01909307 
   
  
  
       2.66    2.71
       2.66    2.71
   
        -35.48133324 
        -35.44008476 
        -35.46758374 
   
  
  
       2.68    2.69
       2.68    2.69
   
       -117.75612989 
       -117.69979182 
       -117.73735053 
   
  
  
       2.74    2.75
       2.74    2.75
   
       -122.92783677 
       -122.87142442 
       -122.90903266 
   
  
  
       2.85    2.87
       3.01    3.02
   
       -123.05742352 
       -123.00100473 
       -123.03861726 
   
  
  
       2.42    2.45
       3.39    3.41
   
       -109.77973986 
       -109.72332106 
       -109.76093359 
   
  
  
       2.52    2.54
       3.67    3.69
   
       -108.19937733 
       -108.14295849 
       -108.18057105 
   
  
  
       1.38    1.40
       2.09    2.11
   
       -107.69769201 
       -107.64127313 
       -107.67888572 
   
  
  
       2.34    2.37
       2.74    2.77
   
       -107.52881340 
       -107.47239757 
       -107.51000813 
   
  
  
       2.54    2.56
       3.08    3.09
   
       -107.51887910 
       -107.46247365 
       -107.50007728 
   
  
  
       2.10    2.12
       2.63    2.65
   
       -107.50838065 
       -107.45243868 
       -107.48973333 
   
  
  
       2.35    2.37
       2.76    2.78
   
       -107.50947566 
       -107.45397585 
       -107.49097572 
   
  
  
       1.99    2.01
       2.35    2.38
   
       -107.51532608 
       -107.46016272 
       -107.49693830 
   
  
  
       2.45    2.50
       2.81    2.87
   
       -107.51866110 
       -107.46354257 
       -107.50028826 
   
  
  
       1.98    2.02
       2.51    2.55
   
       -107.52220300 
       -107.46719769 
       -107.50386790 
   
  
  
       2.08    2.11
       2.41    2.44
   
       -107.52671583 
       -107.47166988 
       -107.50836718