vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 18 
  19:47:33 
 
 
  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      0.99000000      0.32000000      0.75000000
       -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.10600000      0.00400000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.02173102       0.46215092       0.07449104 
           0.01210753       0.54333602       0.43214455 
           0.27376457       0.46433531       0.19303579 
           0.26558637       0.54242241       0.31085490 
           0.00544324       0.23858014       0.43147376 
           0.25544324       0.23858014       0.31648836 
           0.00544324       0.31149750       0.06209090 
           0.25544324       0.31149750       0.18587122 
           0.00544324       0.38800163       0.43570335 
           0.25544324       0.38800163       0.31225877 
           0.01369800       0.46593046       0.55508219 
           0.01976812       0.54061431       0.95509384 
           0.25851612       0.46956800       0.68976911 
           0.24265620       0.55145757       0.81347014 
           0.25544324       0.23858014       0.81648836 
           0.00544324       0.31149750       0.56209090 
           0.25544324       0.31149750       0.68587122 
           0.00544324       0.38800163       0.93570335 
           0.25544324       0.38800163       0.81225877 
           0.51277304       0.46816269       0.05311718 
           0.51777712       0.54361348       0.43312832 
           0.75671305       0.46330789       0.19059919 
           0.76502300       0.54058458       0.30586934 
           0.50544324       0.23858014       0.43147376 
           0.75544324       0.23858014       0.31648836 
           0.50544324       0.31149750       0.06209090 
           0.75544324       0.31149750       0.18587122 
           0.50544324       0.38800163       0.43570335 
           0.75544324       0.38800163       0.31225877 
           0.50767144       0.46635790       0.55931934 
           0.49109318       0.55375190       0.93935717 
           0.76303752       0.46526826       0.67844312 
           0.75743709       0.53043802       0.84120896 
           0.50544324       0.23858014       0.93147376 
           0.75544324       0.23858014       0.81648836 
           0.75544324       0.31149750       0.68587122 
           0.50544324       0.38800163       0.93570335 
           0.75544324       0.38800163       0.81225877 
           0.10341460       0.66806882       0.78920235 
           0.51527620       0.66560054       0.48293002 
           0.18264118       0.61157569       0.74143008 
           0.52444356       0.60317327       0.51339403 
           0.99339038       0.59733943       0.52237413 
           0.27613149       0.59676287       0.21513847 
           0.03199442       0.59303631       0.05262354 
           0.77232435       0.59165550       0.20345833 
           0.51397482       0.60519182       0.03735870 
           0.71154020       0.47542889       0.93182048 
           0.98944247       0.18484676       0.52897716 
           0.24965184       0.18445897       0.21966474 
           0.18569261       0.17852435       0.78892433 
           0.78379446       0.18364035       0.22865494 
           0.51529239       0.18596598       0.02887832 
           0.82293465       0.18214479       0.75210939 
           0.25749609       0.70120174       0.92087931 
           0.70293870       0.69094300       0.36517298 
           0.85368338       0.66294246       0.85272170 
           0.52963222       0.70605466       0.64302634 
           0.08127307       0.72024617       0.64473815 
           0.07318570       0.59936594       0.59333267 
           0.17623871       0.59662171       0.15164221 
           0.92667883       0.59537529       0.11014238 
           0.67149813       0.59688125       0.14567808 
           0.42053982       0.60594835       0.10273756 
           0.81571718       0.45242324       0.94866703 
           0.20479397       0.67834443       0.45844033 
           0.29414102       0.66378341       0.32345924 
           0.00066768       0.15043349       0.48973574 
           0.13183229       0.17460251       0.19349925 
           0.05940067       0.17355077       0.77348096 
           0.70061055       0.17966342       0.15953513 
           0.41497070       0.18216631       0.08604517 
           0.86004500       0.18407726       0.66358904 
           0.28899578       0.74211664       0.36243900 
           0.31061279       0.68798674       0.40211694 
   
  
  
           1 
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          31 
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          36 
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          42 
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          46 
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          48 
          49 
          50 
          51 
          52 
          53 
          54 
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          56 
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          60 
          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       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       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       10
      189
       -1
       -1
       299.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
         -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.10600000      0.00400000
         -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
           0.00000001
           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
   
  
  
       40
      126
       54
       80
      252
      108
    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      0.99000000      0.32000000      0.75000000
      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     35.45300000      1.00000000     14.00100000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
        16.82612089
         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  
  
 
 
        75 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    Cl   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
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       5Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.02173102       0.46215092       0.07449104 
          0.01210753       0.54333602       0.43214455 
          0.27376457       0.46433531       0.19303579 
          0.26558637       0.54242241       0.31085490 
          0.00544324       0.23858014       0.43147376 
          0.25544324       0.23858014       0.31648836 
          0.00544324       0.31149750       0.06209090 
          0.25544324       0.31149750       0.18587122 
          0.00544324       0.38800163       0.43570335 
          0.25544324       0.38800163       0.31225877 
          0.01369800       0.46593046       0.55508219 
          0.01976812       0.54061431       0.95509384 
          0.25851612       0.46956800       0.68976911 
          0.24265620       0.55145757       0.81347014 
          0.25544324       0.23858014       0.81648836 
          0.00544324       0.31149750       0.56209090 
          0.25544324       0.31149750       0.68587122 
          0.00544324       0.38800163       0.93570335 
          0.25544324       0.38800163       0.81225877 
          0.51277304       0.46816269       0.05311718 
          0.51777712       0.54361348       0.43312832 
          0.75671305       0.46330789       0.19059919 
          0.76502300       0.54058458       0.30586934 
          0.50544324       0.23858014       0.43147376 
          0.75544324       0.23858014       0.31648836 
          0.50544324       0.31149750       0.06209090 
          0.75544324       0.31149750       0.18587122 
          0.50544324       0.38800163       0.43570335 
          0.75544324       0.38800163       0.31225877 
          0.50767144       0.46635790       0.55931934 
          0.49109318       0.55375190       0.93935717 
          0.76303752       0.46526826       0.67844312 
          0.75743709       0.53043802       0.84120896 
          0.50544324       0.23858014       0.93147376 
          0.75544324       0.23858014       0.81648836 
          0.75544324       0.31149750       0.68587122 
          0.50544324       0.38800163       0.93570335 
          0.75544324       0.38800163       0.81225877 
          0.10341460       0.66806882       0.78920235 
          0.51527620       0.66560054       0.48293002 
          0.18264118       0.61157569       0.74143008 
          0.52444356       0.60317327       0.51339403 
          0.99339038       0.59733943       0.52237413 
          0.27613149       0.59676287       0.21513847 
          0.03199442       0.59303631       0.05262354 
          0.77232435       0.59165550       0.20345833 
          0.51397482       0.60519182       0.03735870 
          0.71154020       0.47542889       0.93182048 
          0.98944247       0.18484676       0.52897716 
          0.24965184       0.18445897       0.21966474 
          0.18569261       0.17852435       0.78892433 
          0.78379446       0.18364035       0.22865494 
          0.51529239       0.18596598       0.02887832 
          0.82293465       0.18214479       0.75210939 
          0.25749609       0.70120174       0.92087931 
          0.70293870       0.69094300       0.36517298 
          0.85368338       0.66294246       0.85272170 
          0.52963222       0.70605466       0.64302634 
          0.08127307       0.72024617       0.64473815 
          0.07318570       0.59936594       0.59333267 
          0.17623871       0.59662171       0.15164221 
          0.92667883       0.59537529       0.11014238 
          0.67149813       0.59688125       0.14567808 
          0.42053982       0.60594835       0.10273756 
          0.81571718       0.45242324       0.94866703 
          0.20479397       0.67834443       0.45844033 
          0.29414102       0.66378341       0.32345924 
          0.00066768       0.15043349       0.48973574 
          0.13183229       0.17460251       0.19349925 
          0.05940067       0.17355077       0.77348096 
          0.70061055       0.17966342       0.15953513 
          0.41497070       0.18216631       0.08604517 
          0.86004500       0.18407726       0.66358904 
          0.28899578       0.74211664       0.36243900 
          0.31061279       0.68798674       0.40211694 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     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 
     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 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      26.40   26.45
      29.61   29.65
   
        123.65170997 
      23465.15692530 
     -34952.91442116 
        173.15419367 
      10239.95902789 
      -9563.30171726 
         -0.00463643 
       -362.45478630 
      12674.55391393 
       1797.80020960 
       1797.80484603 
       1797.80175508 
   
  
  
      30.75   30.79
      30.75   30.79
   
       -117.66876243 
       -117.71268054 
       -117.68340180 
   
  
  
      27.99   28.05
      28.00   28.05
   
       -407.34202629 
       -407.38890923 
       -407.35765394 
   
  
  
      29.57   29.63
      29.57   29.63
   
       -420.43833131 
       -420.48832080 
       -420.45499447 
   
  
  
      30.26   30.33
      30.60   30.67
   
       -420.89898397 
       -420.94911343 
       -420.91569379 
   
  
  
      29.69   29.72
      32.20   32.24
   
       -395.09161539 
       -395.15508043 
       -395.11277041 
   
  
  
      27.47   27.52
      29.77   29.82
   
       -394.70105950 
       -394.76846934 
       -394.72352945 
   
  
  
      30.62   30.68
      32.22   32.28
   
       -394.56999023 
       -394.53946555 
       -394.55981533 
   
  
  
      29.73   29.78
      31.16   31.22
   
       -394.49865907 
       -394.55975785 
       -394.51902533 
   
  
  
      27.91   27.95
      29.30   29.34
   
       -394.43904875 
       -394.50455307 
       -394.46088352 
   
  
  
      28.35   28.42
      29.79   29.86
   
       -394.33755994 
       -394.40049503 
       -394.35853831 
   
  
  
      31.09   31.13
      32.48   32.52
   
       -394.20107566 
       -394.26247251 
       -394.22154128 
   
  
  
      28.92   28.98
      30.37   30.43
   
       -394.12285363 
       -394.18754192 
       -394.14441639 
   
  
  
      30.72   30.78
      32.17   32.22
   
       -394.06393989 
       -394.12661528 
       -394.08483169 
   
  
  
      35.37   35.42
      36.95   36.99
   
       -394.01972708 
       -394.01820218 
       -394.01921878 
   
  
  
      27.44   27.48
      28.91   28.96
   
       -394.02485401 
       -394.03657389 
       -394.02876063 
   
  
  
      27.97   28.02
      29.40   29.45
   
       -394.02599938 
       -394.03750321 
       -394.02983399 
   
  
  
      33.72   33.77
      35.33   35.39
   
       -394.02560703 
       -394.04317234 
       -394.03146213 
   
  
  
      28.39   28.43
      30.53   30.57
   
       -394.02027395 
       -394.00625159 
       -394.01559983 
   
  
  
      29.02   29.07
      31.20   31.25
   
       -394.02336434 
       -394.02963561 
       -394.02545476 
   
  
  
      27.69   27.74
      29.71   29.76
   
       -394.02195302 
       -394.01333051 
       -394.01907885 
   
  
  
      30.22   30.40