vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 29 
  14:21:16 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.77000000      1.11000000      0.73000000      0.75000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           30.00000000       0.00000000       0.00000000 
            0.00000000      20.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       9000.00000000 
    
            0.03333333       0.00000000       0.00000000 
            0.00000000       0.05000000       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
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           0.35534963       0.53995144       0.35228444 
           0.44490847       0.47537140       0.35353928 
           0.36982681       0.42251988       0.47792281 
           0.61013399       0.57384488       0.44583452 
           0.64748506       0.72474731       0.44944174 
           0.64084960       0.42106325       0.44262169 
           0.57579434       0.32022168       0.37270964 
           0.57102635       0.36645720       0.56741566 
           0.27698276       0.52485278       0.17901469 
           0.30381422       0.51057262       0.34753937 
           0.18794142       0.56218682       0.14271023 
           0.12792773       0.59722488       0.26366794 
           0.60889879       0.58201937       0.33554683 
           0.62991347       0.49933674       0.47083998 
           0.64305117       0.71385140       0.33945229 
           0.69505646       0.76546268       0.46511935 
           0.39025522       0.47700031       0.39423701 
           0.34089426       0.46122637       0.56199925 
           0.46821586       0.55498777       0.36191983 
           0.59546959       0.36942128       0.46144976 
           0.60574098       0.38476244       0.65396874 
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           0.19851163       0.49892188       0.37682975 
           0.21796334       0.57881928       0.34244597 
           0.25114350       0.54402943       0.14771593 
           0.25714448       0.37493738       0.33517085 
           0.29399549       0.37875416       0.24251236 
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           0.10529772       0.46252869       0.16910378 
           0.11640250       0.43861597       0.28163585 
           0.15455506       0.41694580       0.19565045 
           0.16970015       0.58499043       0.09980075 
           0.09984995       0.58554311       0.28985408 
           0.37189852       0.56003163       0.26152002 
           0.35462505       0.59881284       0.41333321 
           0.46939517       0.42162380       0.40743099 
           0.44704975       0.45939732       0.25711907 
           0.33853109       0.37388810       0.43641688 
           0.40937603       0.38888565       0.51571852 
           0.30911526       0.47706445       0.55104443 
           0.35724060       0.49072443       0.60591702 
           0.49037443       0.57175631       0.31224285 
           0.47414885       0.57723603       0.42136222 
           0.64600303       0.63977294       0.56799980 
           0.68307399       0.61850953       0.48184525 
           0.62078226       0.62546599       0.31515022 
           0.55285344       0.56937333       0.56627490 
           0.52993268       0.54408977       0.46315675 
           0.53842819       0.63114174       0.48423835 
           0.59940907       0.82534985       0.46486447 
           0.60205216       0.78051091       0.56783795 
           0.56825683       0.75055015       0.47907019 
           0.65131698       0.75141469       0.30158927 
           0.69566379       0.80130974       0.51025428 
           0.65237741       0.41648744       0.34638871 
           0.67993534       0.40096968       0.49746535 
           0.53433008       0.28831455       0.40551205 
           0.56779543       0.36293652       0.29341772 
           0.53349684       0.41594495       0.57344415 
           0.55358388       0.29659852       0.57936919 
           0.61272529       0.43320362       0.66981195 
           0.63314678       0.35584861       0.66773562 
           0.63568356       0.26872749       0.29116364 
           0.62054159       0.21991935       0.37696247 
   
  
  
           1 
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          59 
          60 
          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      129
       -1
       -1
       184.00000000
        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
   
   
         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      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      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
   
  
  
      150
       98
       80
      300
      196
      160
    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
         0.77000000      1.11000000      0.73000000      0.75000000      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  
        12.01100000     28.08500000     16.00000000     14.00100000      1.00000000
         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
        75.00000000
         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  
  
 
 
        72 
         5 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      10Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       6N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      42H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          30.00000000       0.00000000       0.00000000 
           0.00000000      20.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      9000.00000000 
   
           0.03333333       0.00000000       0.00000000 
           0.00000000       0.05000000       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.21015107       0.52777263       0.31842847 
          0.26220101       0.39749565       0.26911406 
          0.13188641       0.45655037       0.21935370 
          0.64938869       0.63831318       0.49468612 
          0.55277478       0.58036729       0.49447239 
          0.60017430       0.77508092       0.49466353 
          0.26380990       0.49058347       0.27599928 
          0.16358102       0.53628960       0.23727934 
          0.35534963       0.53995144       0.35228444 
          0.44490847       0.47537140       0.35353928 
          0.36982681       0.42251988       0.47792281 
          0.61013399       0.57384488       0.44583452 
          0.64748506       0.72474731       0.44944174 
          0.64084960       0.42106325       0.44262169 
          0.57579434       0.32022168       0.37270964 
          0.57102635       0.36645720       0.56741566 
          0.27698276       0.52485278       0.17901469 
          0.30381422       0.51057262       0.34753937 
          0.18794142       0.56218682       0.14271023 
          0.12792773       0.59722488       0.26366794 
          0.60889879       0.58201937       0.33554683 
          0.62991347       0.49933674       0.47083998 
          0.64305117       0.71385140       0.33945229 
          0.69505646       0.76546268       0.46511935 
          0.39025522       0.47700031       0.39423701 
          0.34089426       0.46122637       0.56199925 
          0.46821586       0.55498777       0.36191983 
          0.59546959       0.36942128       0.46144976 
          0.60574098       0.38476244       0.65396874 
          0.61102716       0.25724729       0.33555877 
          0.19851163       0.49892188       0.37682975 
          0.21796334       0.57881928       0.34244597 
          0.25114350       0.54402943       0.14771593 
          0.25714448       0.37493738       0.33517085 
          0.29399549       0.37875416       0.24251236 
          0.23544010       0.38057399       0.22464021 
          0.10529772       0.46252869       0.16910378 
          0.11640250       0.43861597       0.28163585 
          0.15455506       0.41694580       0.19565045 
          0.16970015       0.58499043       0.09980075 
          0.09984995       0.58554311       0.28985408 
          0.37189852       0.56003163       0.26152002 
          0.35462505       0.59881284       0.41333321 
          0.46939517       0.42162380       0.40743099 
          0.44704975       0.45939732       0.25711907 
          0.33853109       0.37388810       0.43641688 
          0.40937603       0.38888565       0.51571852 
          0.30911526       0.47706445       0.55104443 
          0.35724060       0.49072443       0.60591702 
          0.49037443       0.57175631       0.31224285 
          0.47414885       0.57723603       0.42136222 
          0.64600303       0.63977294       0.56799980 
          0.68307399       0.61850953       0.48184525 
          0.62078226       0.62546599       0.31515022 
          0.55285344       0.56937333       0.56627490 
          0.52993268       0.54408977       0.46315675 
          0.53842819       0.63114174       0.48423835 
          0.59940907       0.82534985       0.46486447 
          0.60205216       0.78051091       0.56783795 
          0.56825683       0.75055015       0.47907019 
          0.65131698       0.75141469       0.30158927 
          0.69566379       0.80130974       0.51025428 
          0.65237741       0.41648744       0.34638871 
          0.67993534       0.40096968       0.49746535 
          0.53433008       0.28831455       0.40551205 
          0.56779543       0.36293652       0.29341772 
          0.53349684       0.41594495       0.57344415 
          0.55358388       0.29659852       0.57936919 
          0.61272529       0.43320362       0.66981195 
          0.63314678       0.35584861       0.66773562 
          0.63568356       0.26872749       0.29116364 
          0.62054159       0.21991935       0.37696247 
  
 
 
  
       7.39    7.42
      16.42   16.45
   
         12.76274539 
      14399.90749136 
     -19921.63623991 
        423.78573392 
       5623.99163154 
      -5473.38338495 
          0.00654252 
      -1100.53710200 
       7482.47896021 
       1447.37637807 
       1447.36983555 
       1447.37419723 
   
  
  
       8.92    8.92
       8.92    8.92
   
        225.44175291 
        225.38292151 
        225.42214244 
   
  
  
       7.43    7.43
       7.44    7.44
   
       -361.61351690 
       -361.63954857 
       -361.62219412 
   
  
  
       7.20    7.20
       7.20    7.21
   
       -432.89935050 
       -432.93929890 
       -432.91266663 
   
  
  
       7.18    7.18
       8.47    8.48
   
       -434.49743220 
       -434.53738180 
       -434.51074873 
   
  
  
       6.96    6.96
      17.64   17.64
   
       -388.85268273 
       -388.90082499 
       -388.86873015 
   
  
  
       7.19    7.19
      18.04   18.04
   
       -385.43175189 
       -385.45603997 
       -385.43984791 
   
  
  
       7.27    7.27
      17.87   17.86
   
       -383.96177616 
       -384.00532250 
       -383.97629161 
   
  
  
       6.95    6.96
      17.75   17.75
   
       -383.42908859 
       -383.45561125 
       -383.43792947 
   
  
  
       6.66    6.66
      17.47   17.46
   
       -383.36941256 
       -383.40402313 
       -383.38094942 
   
  
  
       6.21    6.22
      16.80   16.79
   
       -383.33065175 
       -383.37004525 
       -383.34378292 
   
  
  
       5.22    5.22
      16.04   16.03
   
       -383.30691459 
       -383.34827264 
       -383.32070061 
   
  
  
       5.83    5.83
      16.65   16.64
   
       -383.29980517 
       -383.33932420 
       -383.31297818