vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  04:33:26 
 
 
  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      0.32000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.92171789       0.52716734       0.10499685 
           0.85729525       0.23518511       0.43010099 
           0.13536495       0.45091337       0.19525063 
           0.09885773       0.28741716       0.33697835 
           0.82433526       0.33178474       0.02718806 
           0.95692699       0.42197342       0.51752594 
           0.08598887       0.33517503       0.13898540 
           0.19785597       0.40655404       0.38790034 
           0.83128795       0.54710308       0.52642568 
           0.77564028       0.24437737       0.88127563 
           0.06099283       0.50970375       0.65340029 
           0.02148447       0.20722027       0.76176045 
           0.90429465       0.31172453       0.59646095 
           0.86509657       0.44220233       0.95254115 
           0.14564690       0.32488375       0.73615367 
           0.10200853       0.43483833       0.82027673 
           0.41506357       0.47359478       0.11945149 
           0.37219913       0.27902716       0.42487925 
           0.68716493       0.47619033       0.20400906 
           0.64425610       0.31441430       0.34678872 
           0.33122086       0.32156916       0.01477596 
           0.43518211       0.43618031       0.51885706 
           0.57183477       0.35025478       0.14551236 
           0.69353693       0.43102724       0.40276573 
           0.30944757       0.54824195       0.54039228 
           0.27756075       0.23524707       0.86924659 
           0.59657511       0.52182834       0.65813535 
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           0.66683904       0.32693081       0.72696620 
           0.62692458       0.43866160       0.81483342 
           0.64887243       0.68847745       0.63138307 
           0.63504903       0.69603590       0.55910642 
           0.45200123       0.58580402       0.64862915 
   
  
  
           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 
          35 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
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          0.00000000       0.00000000       0.00000000 
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          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
      104
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     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      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
           0.00000002
           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
       96
       54
       80
      192
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
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        0
         0.50000000
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         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.32000000      0.73000000
      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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000      1.00000000     16.00000000
         0.00000000      0.00000000      0.00000000
         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
        27.99362752
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    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  
  
 
 
        35 
         3 
  
   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
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.92171789       0.52716734       0.10499685 
          0.85729525       0.23518511       0.43010099 
          0.13536495       0.45091337       0.19525063 
          0.09885773       0.28741716       0.33697835 
          0.82433526       0.33178474       0.02718806 
          0.95692699       0.42197342       0.51752594 
          0.08598887       0.33517503       0.13898540 
          0.19785597       0.40655404       0.38790034 
          0.83128795       0.54710308       0.52642568 
          0.77564028       0.24437737       0.88127563 
          0.06099283       0.50970375       0.65340029 
          0.02148447       0.20722027       0.76176045 
          0.90429465       0.31172453       0.59646095 
          0.86509657       0.44220233       0.95254115 
          0.14564690       0.32488375       0.73615367 
          0.10200853       0.43483833       0.82027673 
          0.41506357       0.47359478       0.11945149 
          0.37219913       0.27902716       0.42487925 
          0.68716493       0.47619033       0.20400906 
          0.64425610       0.31441430       0.34678872 
          0.33122086       0.32156916       0.01477596 
          0.43518211       0.43618031       0.51885706 
          0.57183477       0.35025478       0.14551236 
          0.69353693       0.43102724       0.40276573 
          0.30944757       0.54824195       0.54039228 
          0.27756075       0.23524707       0.86924659 
          0.59657511       0.52182834       0.65813535 
          0.53852948       0.20925818       0.75650553 
          0.39950015       0.32807002       0.61894213 
          0.36890738       0.42963511       0.92349131 
          0.66683904       0.32693081       0.72696620 
          0.62692458       0.43866160       0.81483342 
          0.64887243       0.68847745       0.63138307 
          0.63504903       0.69603590       0.55910642 
          0.45200123       0.58580402       0.64862915 
  
 
 
  
      14.82   14.96
      15.53   15.67
   
         24.76344702 
       9005.82510897 
     -12288.34997275 
       -264.16647950 
       3167.08814863 
      -2605.71786812 
         -0.00304264 
       -185.78386615 
       3755.32434067 
        608.97981614 
        608.98285879 
        608.98083036 
   
  
  
      18.37   18.37
      18.37   18.37
   
        -86.99729344 
        -86.99865315 
        -86.99774668 
   
  
  
      17.53   17.53
      17.53   17.53
   
       -162.70362915 
       -162.69067394 
       -162.69931075 
   
  
  
      18.25   18.24
      18.25   18.25
   
       -165.77706363 
       -165.76336767 
       -165.77249831 
   
  
  
      18.98   18.98
      19.13   19.13
   
       -165.92549332 
       -165.91176697 
       -165.92091787 
   
  
  
      16.76   16.76
      17.64   17.64
   
      -1685.97301336 
      -1685.95747878 
      -1685.96783517 
   
  
  
      16.91   16.91
      17.74   17.74
   
       -131.08783610 
       -131.07495284 
       -131.08354168 
   
  
  
      16.84   16.84
      17.67   17.67
   
       -139.45883751 
       -139.45108859 
       -139.45625454 
   
  
  
      16.44   16.44
      17.30   17.30
   
       -140.22909454 
       -140.22522295 
       -140.22780401 
   
  
  
      16.67   16.67
      17.52   17.52
   
       -146.30442864 
       -146.29853714 
       -146.30246481 
   
  
  
      20.28   20.27
      21.13   21.13
   
      -1950.97217986 
      -1950.95629826 
      -1950.96688600 
   
  
  
      17.54   17.54
      18.38   18.38
   
       -141.66334256 
       -141.65197231 
       -141.65955248 
   
  
  
      17.01   17.01
      17.86   17.86
   
       -152.14062271 
       -152.12395511 
       -152.13506684 
   
  
  
      18.31   18.31
      19.14   19.14
   
       -172.28740501 
       -172.28907691 
       -172.28796231 
   
  
  
      16.83   16.83
      17.68   17.68
   
       -159.02891065 
       -159.03071973 
       -159.02951367 
   
  
  
      15.94   15.94
      16.78   16.78
   
       -167.26011933 
       -167.27192609 
       -167.26405492 
   
  
  
      16.74   16.74
      17.62   17.62
   
       -170.20844884 
       -170.23775181 
       -170.21821650 
   
  
  
      15.94   15.94
      16.80   16.80
   
       -170.53533790 
       -170.57165891 
       -170.54744490 
   
  
  
      16.08   16.08
      16.93   16.93
   
       -172.51124984 
       -172.54318175 
       -172.52189381 
   
  
  
      15.71   15.71
      16.57   16.57
   
       -167.48743396 
       -167.50390904 
       -167.49292565 
   
  
  
      16.35   16.35
      17.21   17.20
   
       -172.91008027 
       -172.94066031 
       -172.92027362 
   
  
  
      16.41   16.41
      17.27   17.27
   
       -173.30389410 
       -173.33433265 
       -173.31404028 
   
  
  
      16.36   16.36
      17.21   17.21
   
       -173.49111515 
       -173.52113869 
       -173.50112300 
   
  
  
      16.24   16.24
      17.11   17.10
   
       -173.56212668 
       -173.59189376 
       -173.57204904 
   
  
  
      16.49   16.49
      17.35   17.35
   
       -173.78442310 
       -173.81420643 
       -173.79435088 
   
  
  
      16.84   16.84
      17.73   17.73
   
       -173.56184517 
       -173.59161318 
       -173.57176784 
   
  
  
      16.74   16.74
      17.63   17.63
   
       -174.01709475 
       -174.04679690 
       -174.02699546 
   
  
  
      16.52   16.52
      17.42   17.42
   
       -175.27871814 
       -175.30844765 
       -175.28862798 
   
  
  
      16.49   16.49
      17.37   17.37
   
       -175.20861919 
       -175.23834829 
       -175.21852889 
   
  
  
      14.90   14.90
      15.80   15.80
   
       -167.90379988 
       -167.89322862 
       -167.90027612 
   
  
  
      15.09   15.09
      16.00   16.00
   
       -168.32355146 
       -168.35895178 
       -168.33535157 
   
  
  
      16.64   16.64
      17.55   17.55
   
       -242.75120837 
       -242.75443299 
       -242.75228325 
   
  
  
      11.09   11.09
      11.96   11.96
   
       -163.23220497 
       -163.20272386 
       -163.22237793 
   
  
  
       7.83    7.83
       8.71    8.71
   
       -172.97460471 
       -173.00285779 
       -172.98402240 
   
  
  
       4.15    4.15
       5.01    5.01
   
       -174.11936722 
       -174.14778899 
       -174.12884114 
   
  
  
       1.49    1.49
       2.33    2.33
   
     -19118.19501065 
     -19118.21786621 
     -19118.20262917 
   
  
  
       1.20    1.20
       2.06    2.06
   
       -138.21248549 
       -138.20045670 
       -138.20847589 
   
  
  
       1.34    1.34
       2.21    2.21
   
       -168.82271436 
       -168.79019256 
       -168.81187376 
   
  
  
       1.32    1.32
       2.18    2.18
   
       -174.98340551 
       -175.01085284 
       -174.99255462 
   
  
  
       1.27    1.27
       2.12    2.12
   
       -173.76130198 
       -173.78971221 
       -173.77077206 
   
  
  
       1.28    1.28
       2.14    2.15
   
       -174.15582557 
       -174.18444008 
       -174.16536374