vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 09 
  14:32:21 
 
 
  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      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000       5.41863000 
    
       1051.63255568 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.18454849 
    
   
   
           0.56700554       0.46596566       0.60732879 
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           0.70273892       0.73345960       0.93135676 
           0.09993501       0.98434151       0.53434775 
           0.54177527       0.01976559       0.03522810 
           0.65811677       0.47578280       0.79381010 
           0.04392395       0.78948086       0.01590363 
           0.20254462       0.92026020       0.07798781 
           0.78385349       0.35602318       0.60337980 
           0.70225431       0.61294548       0.18211979 
           0.56738429       0.37312458       0.83005905 
           0.43565494       0.14725671       0.21883609 
           0.70573298       0.54780692       0.20711893 
           0.07814703       0.74360056       0.56490198 
           0.23830244       0.48326857       0.52985480 
           0.75489378       0.48505427       0.54351631 
           0.88131137       0.51028020       0.08777531 
           0.20345969       0.66564598       0.93980049 
           0.06730508       0.65215806       0.54453871 
           0.50248492       0.82056045       0.78225600 
           0.53936106       0.86663167       0.49758074 
           0.57749735       0.86063008       0.63612008 
           0.89974180       0.10570345       0.53142467 
           0.61222873       0.81669374       0.82741710 
           0.06266360       0.01456001       0.68790757 
           0.63503098       0.30960600       0.25058717 
           0.23382763       0.09392611       0.16957367 
           0.12219157       0.33307683       0.76551895 
           0.17295342       0.05399153       0.89545879 
           0.49716558       0.52643025       0.34967566 
           0.85841210       0.77081787       0.46639547 
           0.54678153       0.46626143       0.64240652 
           0.89103831       0.60731212       0.21056083 
           0.39810546       0.26341823       0.45303157 
           0.37585064       0.26459289       0.79643232 
           0.10417528       0.12708986       0.04427694 
           0.98421816       0.86726046       0.52785028 
           0.32510578       0.95164325       0.24888318 
           0.70982622       0.55656111       0.21288028 
           0.85699930       0.77043835       0.03617804 
           0.65142737       0.13973779       0.53110307 
           0.39212523       0.08180426       0.51373553 
           0.57950439       0.30881155       0.20611228 
           0.10230352       0.18843189       0.87647243 
   
  
  
           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 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
          44 
  
 
 
  
          2        1        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.33333333 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.33333333 
          0.50000000       0.00000000       0.33333333 
  
  
          0.16666667 
          0.16666667 
          0.33333333 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      108
       -1
       -1
       168.00000000
        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
     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
      126
       28
       80
      252
       56
    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      0.72000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     12.01100000      1.00000000     18.99800000
         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
        14.34044394
         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  
  
 
 
        44 
         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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      25Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       9H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000       5.41863000 
   
      1051.63255568 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.18454849 
   
  
  
          0.56700554       0.46596566       0.60732879 
          0.75254218       0.90197849       0.31918231 
          0.70273892       0.73345960       0.93135676 
          0.09993501       0.98434151       0.53434775 
          0.54177527       0.01976559       0.03522810 
          0.65811677       0.47578280       0.79381010 
          0.04392395       0.78948086       0.01590363 
          0.20254462       0.92026020       0.07798781 
          0.78385349       0.35602318       0.60337980 
          0.70225431       0.61294548       0.18211979 
          0.56738429       0.37312458       0.83005905 
          0.43565494       0.14725671       0.21883609 
          0.70573298       0.54780692       0.20711893 
          0.07814703       0.74360056       0.56490198 
          0.23830244       0.48326857       0.52985480 
          0.75489378       0.48505427       0.54351631 
          0.88131137       0.51028020       0.08777531 
          0.20345969       0.66564598       0.93980049 
          0.06730508       0.65215806       0.54453871 
          0.50248492       0.82056045       0.78225600 
          0.53936106       0.86663167       0.49758074 
          0.57749735       0.86063008       0.63612008 
          0.89974180       0.10570345       0.53142467 
          0.61222873       0.81669374       0.82741710 
          0.06266360       0.01456001       0.68790757 
          0.63503098       0.30960600       0.25058717 
          0.23382763       0.09392611       0.16957367 
          0.12219157       0.33307683       0.76551895 
          0.17295342       0.05399153       0.89545879 
          0.49716558       0.52643025       0.34967566 
          0.85841210       0.77081787       0.46639547 
          0.54678153       0.46626143       0.64240652 
          0.89103831       0.60731212       0.21056083 
          0.39810546       0.26341823       0.45303157 
          0.37585064       0.26459289       0.79643232 
          0.10417528       0.12708986       0.04427694 
          0.98421816       0.86726046       0.52785028 
          0.32510578       0.95164325       0.24888318 
          0.70982622       0.55656111       0.21288028 
          0.85699930       0.77043835       0.03617804 
          0.65142737       0.13973779       0.53110307 
          0.39212523       0.08180426       0.51373553 
          0.57950439       0.30881155       0.20611228 
          0.10230352       0.18843189       0.87647243 
  
 
 
  
       3.80    4.15
       3.93    4.27
   
         74.00007382 
       -758.40582931 
      -3978.27005860 
         43.05735097 
       5642.42690935 
      -5222.73511433 
          0.00632248 
       -360.66783937 
       6953.63384995 
       2393.04566495 
       2393.03934248 
       2393.04355746 
   
  
  
       8.50    8.50
       8.50    8.50
   
       1283.24568145 
       1283.24365083 
       1283.24500458 
   
  
  
       9.42    9.42
       9.42    9.42
   
       1094.45448072 
       1094.45233417 
       1094.45376520 
   
  
  
       9.19    9.19
       9.19    9.19
   
       1082.97847453 
       1082.98349601 
       1082.98014836 
   
  
  
       9.65    9.65
       9.67    9.68
   
       1082.52471678 
       1082.53508220 
       1082.52817192 
   
  
  
       9.55    9.56
       9.70    9.70
   
       1171.71878853 
       1171.71611363 
       1171.71789689 
   
  
  
      10.49   10.49
      10.64   10.64
   
        696.17974033 
        696.19755313 
        696.18567793 
   
  
  
      10.59   10.60
      10.75   10.75
   
       1016.10077736 
       1016.10897416 
       1016.10350963 
   
  
  
       8.18    8.18
       8.33    8.33
   
        842.78942254 
        842.76358641 
        842.78081050 
   
  
  
       8.87    8.87
       9.02    9.02
   
        789.31999730 
        789.32138220 
        789.32045894 
   
  
  
       8.18    8.19
       8.33    8.33
   
        687.58681465 
        687.58930775 
        687.58764568 
   
  
  
       8.69    8.70
       8.84    8.84
   
        595.43478168 
        595.45494382 
        595.44150239 
   
  
  
       8.95    8.95
       9.10    9.10
   
        125.95332845 
        125.92546502 
        125.94404064 
   
  
  
       8.68    8.68
       8.83    8.83
   
       -199.45207341 
       -199.45386023 
       -199.45266902 
   
  
  
       9.78    9.78
       9.92    9.93
   
       -263.20605000 
       -263.20844687 
       -263.20684896 
   
  
  
       8.20    8.20
       8.35    8.35
   
      -5923.55752427 
      -5923.54912951 
      -5923.55472601 
   
  
  
       6.99    6.99
       7.13    7.13
   
        571.23732456 
        571.23446878 
        571.23637263 
   
  
  
       8.33    8.34
       8.48    8.49
   
      -4093.58518551 
      -4093.58016750 
      -4093.58351284 
   
  
  
       7.97    7.97
       8.12    8.13
   
        212.51456586 
        212.51485700 
        212.51466291 
   
  
  
       8.52    8.53
       8.68    8.69
   
       -302.99905985 
       -302.99029408 
       -302.99613793 
   
  
  
       9.82    9.83
       9.98    9.99
   
     -31667.10124774 
     -31667.12944058 
     -31667.11064535 
   
  
  
       7.10    7.11
       7.27    7.27
   
       -429.54915965 
       -429.50622617 
       -429.53484849 
   
  
  
       9.31    9.31
       9.48    9.49
   
        -83.64584141 
        -83.63965700 
        -83.64377994 
   
  
  
       7.95    7.96
       8.12    8.13
   
        -74.13059410 
        -74.07270768 
        -74.11129863 
   
  
  
       5.82    5.82
       5.97    5.97
   
      -1522.09395914 
      -1522.15105481 
      -1522.11299103 
   
  
  
       8.48    8.49
       8.63    8.64
   
        231.75879081 
        231.76385791 
        231.76047985 
   
  
  
       9.75    9.76
       9.90    9.90
   
     -38922.03185564 
     -38922.02295688 
     -38922.02888939 
   
  
  
       7.08    7.08
       7.23    7.23
   
        377.80825278 
        377.82658681 
        377.81436412 
   
  
  
       9.61    9.61
       9.76    9.76
   
     -15274.03623885 
     -15273.99561534 
     -15274.02269768 
   
  
  
       7.66    7.66
       7.81    7.81
   
        946.08948363 
        946.10408504 
        946.09435077 
   
  
  
       8.49    8.50
       8.64    8.64
   
        611.35089122 
        611.38932926 
        611.36370390 
   
  
  
       7.11    7.12
       7.26    7.26
   
        530.86248813 
        530.85543221 
        530.86013616 
   
  
  
       7.13    7.15
       7.28    7.29
   
        507.53930193 
        507.56218590 
        507.54692992 
   
  
  
       4.99    5.02
       5.14    5.17
   
        552.92460616 
        552.88231036 
        552.91050756 
   
  
  
       4.76    4.76
       4.91    4.91
   
        484.61142215 
        484.62503962 
        484.61596131 
   
  
  
       4.60    4.61
       4.76    4.76
   
        505.63465133 
        505.64890500 
        505.63940255 
   
  
  
       4.55    4.55
       4.70    4.71
   
        503.63640861 
        503.66700290 
        503.64660671 
   
  
  
       4.10    4.11
       4.26    4.27
   
       1168.67678293 
       1168.70410281 
       1168.68588956 
   
  
  
       5.33    5.34
       5.49    5.50
   
         36.94369998 
         36.94213036 
         36.94317678 
   
  
  
       4.62    4.63
       4.77    4.78
   
    **************** 
    **************** 
    **************** 
   
  
  
       5.57    5.57
       5.72    5.72
   
       -742.78059127 
       -742.73604010 
       -742.76574088 
   
  
  
       5.16    5.16
       5.31    5.31
   
    -316842.49596226 
    -316842.46878360 
    -316842.48690271 
   
  
  
       5.40    5.40
       5.55    5.56
   
      -1263.29809517 
      -1263.24823803 
      -1263.28147612 
   
  
  
       4.90    4.90
       5.06    5.06
   
     -13269.00988233 
     -13268.99356614 
     -13269.00444360 
   
  
  
       5.45    5.45
       5.60    5.60
   
    -138954.03937365 
    -138954.05541715 
    -138954.04472149 
   
  
  
       4.21    4.21
       4.36    4.36
   
      -3407.86282654 
      -3407.84133207 
      -3407.85566171 
   
  
  
       6.22    6.22
       6.37    6.37
   
    **************** 
    **************** 
    **************** 
   
  
  
       5.87    5.87
       6.03    6.03
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.17    4.17
       4.33    4.33
   
    -134733.97468646 
    -134733.96354399 
    -134733.97097230 
   
  
  
       4.33    4.34
       4.49    4.49
   
    -127221.40832628 
    -127221.38769785 
    -127221.40145014 
   
  
  
       4.76    4.76
       4.91    4.92
   
    -135924.80322354 
    -135924.81299979 
    -135924.80648229 
   
  
  
       4.26    4.26
       4.42    4.42
   
     -40776.63162781 
     -40776.60874123 
     -40776.62399895 
   
  
  
       4.14    4.14
       4.30    4.31
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.60    3.60
       3.75    3.75
   
    -493189.52243275 
    -493189.51818560 
    -493189.52101703 
   
  
  
       3.78    3.78
       3.93    3.94
   
    -187136.09130528 
    -187136.05806673 
    -187136.08022576 
   
  
  
       3.49    3.49
       3.64    3.64
   
    -132437.43132042 
    -132437.39413210 
    -132437.41892431 
   
  
  
       4.22    4.23
       4.38    4.38
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.25    4.25
       4.40    4.40
   
    -338021.19392406 
    -338021.19870714 
    -338021.19551842 
   
  
  
       4.64    4.64
       4.79    4.79
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.25    3.26
       3.39    3.41
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.32    2.33
       2.47    2.47
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.76    1.79
       1.91    1.95
   
    -400645.67858441 
    -400645.65220561 
    -400645.66979148 
   
  
  
       1.72    1.72
       1.87    1.87
   
    -808161.36384189 
    -808161.36789887 
    -808161.36519422 
   
  
  
       1.90    1.90
       2.04    2.05
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.91    1.91
       2.05    2.05
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.90    1.90
       2.05    2.05
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.94    1.94
       2.09    2.09
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.79    1.79
       1.94    1.94
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.03    2.03
       2.18    2.18
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.89    1.89
       2.03    2.04
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.99    1.99
       2.14    2.15
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.87    1.87
       2.02    2.02
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.94    1.94
       2.09    2.09
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.01    2.02
       2.17    2.18
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.96    1.97
       2.12    2.13
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.88    1.89
       2.03    2.05
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.87    1.87
       2.02    2.03
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.90    1.90
       2.05    2.05
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.93    1.93
       2.09    2.09
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.88    0.89
       1.03    1.04
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.79    0.79
       0.94    0.94
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.86    0.86
       1.00    1.01
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.82    0.83
       0.97    0.98
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.85    0.85
       1.00    1.00
   
    **************** 
    **************** 
    ****************