vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 12 19 
  22:12:18 
 
 
  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
        0.00300000     -0.04200000     -0.03700000     -0.01500000     -0.00600000     -1.26600000     -0.00200000     -0.00200000     -0.00200000     -0.00400000      0.00000000     -0.00100000      0.00000000      0.00000000     -0.00200000      0.00000000      0.00000000      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
  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 
    
   
   
           0.55828718       0.55830254       0.47698262 
           0.60064125       0.61086428       0.35814127 
           0.62715634       0.61269096       0.58243503 
           0.58151200       0.42439978       0.47892134 
           0.42399720       0.58340644       0.48749818 
           0.38456092       0.63829013       0.87587737 
           0.55104688       0.69808183       0.29327327 
           0.64110628       0.77235121       0.24495319 
           0.62321085       0.72937372       0.60943985 
           0.63337738       0.74539782       0.73430184 
           0.68008544       0.36683570       0.44304138 
           0.77194409       0.36831250       0.53001524 
           0.35667099       0.55642835       0.58134578 
           0.28913354       0.66176510       0.62173660 
           0.50215567       0.65891688       0.22565959 
           0.49222735       0.74645106       0.34474884 
           0.60327137       0.83826967       0.19353233 
           0.69847918       0.72413028       0.19229491 
           0.68982795       0.81221656       0.31168358 
           0.69202767       0.77203976       0.56581132 
           0.54392097       0.76650282       0.57945853 
           0.63478159       0.83470571       0.75430685 
           0.71139862       0.70743532       0.76483730 
           0.56328154       0.70628517       0.77797373 
           0.65409806       0.28051809       0.42544087 
           0.70985931       0.40348081       0.36389428 
           0.84404063       0.32029268       0.50015728 
           0.74265981       0.33084941       0.60856353 
           0.79916189       0.45402094       0.54775262 
           0.40664682       0.52285229       0.65077248 
           0.22970235       0.62801351       0.68525332 
           0.23785398       0.68683557       0.54866805 
           0.33169520       0.72780574       0.65141453 
           0.29914346       0.48645633       0.55457600 
   
  
  
           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 
  
 
 
  
          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
       63
       -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  
          0.00300000     -0.04200000     -0.03700000     -0.01500000     -0.00600000     -1.26600000     -0.00200000     -0.00200000     -0.00200000     -0.00400000      0.00000000     -0.00100000      0.00000000      0.00000000     -0.00200000      0.00000000      0.00000000      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
         -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
           0.00000004
           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
  
  
        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
        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 
   
  
  
          0.55828718       0.55830254       0.47698262 
          0.60064125       0.61086428       0.35814127 
          0.62715634       0.61269096       0.58243503 
          0.58151200       0.42439978       0.47892134 
          0.42399720       0.58340644       0.48749818 
          0.38456092       0.63829013       0.87587737 
          0.55104688       0.69808183       0.29327327 
          0.64110628       0.77235121       0.24495319 
          0.62321085       0.72937372       0.60943985 
          0.63337738       0.74539782       0.73430184 
          0.68008544       0.36683570       0.44304138 
          0.77194409       0.36831250       0.53001524 
          0.35667099       0.55642835       0.58134578 
          0.28913354       0.66176510       0.62173660 
          0.50215567       0.65891688       0.22565959 
          0.49222735       0.74645106       0.34474884 
          0.60327137       0.83826967       0.19353233 
          0.69847918       0.72413028       0.19229491 
          0.68982795       0.81221656       0.31168358 
          0.69202767       0.77203976       0.56581132 
          0.54392097       0.76650282       0.57945853 
          0.63478159       0.83470571       0.75430685 
          0.71139862       0.70743532       0.76483730 
          0.56328154       0.70628517       0.77797373 
          0.65409806       0.28051809       0.42544087 
          0.70985931       0.40348081       0.36389428 
          0.84404063       0.32029268       0.50015728 
          0.74265981       0.33084941       0.60856353 
          0.79916189       0.45402094       0.54775262 
          0.40664682       0.52285229       0.65077248 
          0.22970235       0.62801351       0.68525332 
          0.23785398       0.68683557       0.54866805 
          0.33169520       0.72780574       0.65141453 
          0.29914346       0.48645633       0.55457600 
  
 
 
  
      14.86   14.92
      15.73   15.79
   
         16.78333521 
       3644.19435793 
      -6460.59259515 
        280.24530178 
       2731.49734365 
      -2727.62239620 
          0.00266171 
       -554.34277697 
       3690.97217068 
        621.13740263 
        621.13474092 
        621.13651539 
   
  
  
      17.68   17.75
      17.69   17.75
   
        -20.65317256 
        -20.64625456 
        -20.65086656 
   
  
  
      15.20   15.27
      15.21   15.27
   
       -194.73071698 
       -194.67970962 
       -194.71371452 
   
  
  
      16.09   16.15
      16.09   16.15
   
       -203.08074425 
       -203.00835378 
       -203.05661409 
   
  
  
      16.16   16.21
      16.31   16.37
   
       -203.22999366 
       -203.15768300 
       -203.20589011 
   
  
  
      15.04   15.13
      16.29   16.38
   
       -186.61120768 
       -186.58998770 
       -186.60413436 
   
  
  
      15.67   15.76
      16.92   17.01
   
       -184.59846480 
       -184.61328231 
       -184.60340397 
   
  
  
      14.68   14.74
      16.02   16.08
   
       -184.16066033 
       -184.16657719 
       -184.16263261 
   
  
  
      14.54   14.61
      15.68   15.75
   
       -184.09434901 
       -184.14150395 
       -184.11006733 
   
  
  
      13.93   13.99
      15.22   15.27
   
       -184.07099854 
       -184.06214364 
       -184.06804690 
   
  
  
      14.15   14.21
      15.61   15.67
   
       -184.06686748 
       -184.07457084 
       -184.06943527 
   
  
  
      14.44   14.50
      15.65   15.72
   
       -184.05893314 
       -184.07014413 
       -184.06267014 
   
  
  
      14.09   14.15
      15.30   15.36
   
       -184.06835225 
       -184.11520955 
       -184.08397135 
   
  
  
      14.05   14.14
      15.49   15.58
   
       -184.04881706 
       -184.07794131 
       -184.05852514 
   
  
  
      13.56   13.62
      14.77   14.82
   
       -184.05898596 
       -184.05608692 
       -184.05801962 
   
  
  
      13.59   13.67
      14.93   15.01
   
       -184.05477621 
       -184.07570835 
       -184.06175359 
   
  
  
      13.01   13.10
      14.26   14.36
   
       -184.06062470 
       -184.07697657 
       -184.06607532 
   
  
  
      13.68   13.77
      14.74   14.83
   
       -184.06478046 
       -184.07510810 
       -184.06822301 
   
  
  
      14.15   14.25
      15.52   15.62
   
       -184.06244564 
       -184.07285244 
       -184.06591457 
   
  
  
      15.34   15.42
      16.41   16.49
   
       -184.06112395 
       -184.07237320 
       -184.06487370 
   
  
  
      13.32   13.40
      14.45   14.53
   
       -184.06068273 
       -184.07566333 
       -184.06567627 
   
  
  
      13.96   14.03
      15.08   15.15
   
       -184.06417725 
       -184.08281688 
       -184.07039046 
   
  
  
      13.07   13.18
      14.49   14.60
   
       -184.06651356 
       -184.08486031 
       -184.07262914 
   
  
  
      13.14   13.21
      14.58   14.64
   
       -184.06291353 
       -184.08306677 
       -184.06963127 
   
  
  
      13.56   13.64
      14.69   14.77
   
       -184.06256641 
       -184.08160179 
       -184.06891153 
   
  
  
      13.18   13.26
      14.31   14.39
   
       -184.06202800 
       -184.08145131 
       -184.06850244 
   
  
  
      13.25   13.33
      14.30   14.38
   
       -184.06297109 
       -184.08234608 
       -184.06942942 
   
  
  
      10.34   10.43
      11.77   11.86
   
       -184.06268389 
       -184.08215323 
       -184.06917367 
   
  
  
      10.32   10.42
      12.35   12.45
   
       -184.06221494 
       -184.08459228 
       -184.06967405 
   
  
  
      10.62   10.71
      12.18   12.27
   
       -184.05952203 
       -184.08146955 
       -184.06683787 
   
  
  
      10.07   10.17
      11.52   11.62
   
       -184.07024109 
       -184.09228151 
       -184.07758790 
   
  
  
       9.89    9.95
      11.11   11.17
   
       -184.06650009 
       -184.09049895 
       -184.07449971 
   
  
  
      10.42   10.49
      11.73   11.80
   
       -184.06792857 
       -184.08986303 
       -184.07524006 
   
  
  
       9.31    9.40
      11.10   11.18
   
       -184.07050997 
       -184.09046291 
       -184.07716095 
   
  
  
       8.32    8.39
       9.89    9.96
   
       -184.07590076 
       -184.09564865 
       -184.08248339 
   
  
  
       6.83    6.92
       8.10    8.18
   
       -184.07631445 
       -184.09536146 
       -184.08266346 
   
  
  
       6.57    6.63
       7.60    7.66
   
       -184.07279146 
       -184.09482509 
       -184.08013600 
   
  
  
       6.94    7.01
       7.95    8.01
   
       -184.07640132 
       -184.09809292 
       -184.08363185 
   
  
  
       6.90    6.95
       7.89    7.94
   
       -184.07647360 
       -184.09656448 
       -184.08317056 
   
  
  
       6.79    6.86
       7.77    7.83
   
       -184.07708507 
       -184.09735483 
       -184.08384166 
   
  
  
       6.67    6.73
       7.68    7.74
   
       -184.07721107 
       -184.09715314 
       -184.08385842