vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 09 
  20:24:10 
 
 
  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 
    
   
   
           0.66280927       0.29518506       0.03015865 
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           0.42219874       0.76147057       0.15547581 
           0.22590948       0.13706458       0.36409259 
           0.33981152       0.84912518       0.74655800 
           0.16422632       0.66561241       0.83430399 
           0.25422103       0.41739023       0.34539815 
           0.65584325       0.92692349       0.79888918 
           0.04406706       0.39777736       0.66904183 
           0.12224695       0.39771910       0.64981320 
           0.96691860       0.10737800       0.25662819 
           0.73495593       0.53491963       0.94898452 
           0.44871214       0.50617076       0.99557758 
           0.36740908       0.97401276       0.04075055 
           0.73557696       0.19147850       0.74628911 
           0.20209566       0.09925303       0.07223500 
           0.63934183       0.00991225       0.78911440 
           0.09556045       0.93638340       0.10416377 
           0.02261711       0.33781676       0.38366287 
           0.08721859       0.25803938       0.50297900 
           0.93288036       0.50370444       0.19712173 
           0.90951386       0.20342948       0.39973879 
           0.03737163       0.36845598       0.59485693 
           0.69446625       0.74853620       0.59153227 
           0.89355566       0.06084737       0.06932737 
           0.62536272       0.44096022       0.84809655 
           0.58517474       0.44619195       0.83320116 
           0.04941679       0.72128035       0.58667148 
           0.25502769       0.28509890       0.79098279 
           0.05719592       0.76307270       0.50777955 
           0.76457740       0.97133222       0.44465191 
           0.25397382       0.71047845       0.35393248 
           0.18854069       0.56485912       0.15011177 
           0.80038591       0.01947990       0.83386879 
           0.58320925       0.98059807       0.40051119 
           0.25033962       0.28047946       0.54080390 
           0.70972518       0.99926294       0.46849838 
           0.32245181       0.41560918       0.74187522 
           0.20583788       0.93766577       0.27538592 
           0.78541241       0.45968809       0.51354546 
           0.36180169       0.11480782       0.44234759 
           0.10593760       0.07520292       0.71701085 
           0.58653161       0.54488514       0.80512775 
           0.09016739       0.33709747       0.10182804 
   
  
  
           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 
   
  
  
          0.66280927       0.29518506       0.03015865 
          0.56152045       0.20217542       0.59024013 
          0.42219874       0.76147057       0.15547581 
          0.22590948       0.13706458       0.36409259 
          0.33981152       0.84912518       0.74655800 
          0.16422632       0.66561241       0.83430399 
          0.25422103       0.41739023       0.34539815 
          0.65584325       0.92692349       0.79888918 
          0.04406706       0.39777736       0.66904183 
          0.12224695       0.39771910       0.64981320 
          0.96691860       0.10737800       0.25662819 
          0.73495593       0.53491963       0.94898452 
          0.44871214       0.50617076       0.99557758 
          0.36740908       0.97401276       0.04075055 
          0.73557696       0.19147850       0.74628911 
          0.20209566       0.09925303       0.07223500 
          0.63934183       0.00991225       0.78911440 
          0.09556045       0.93638340       0.10416377 
          0.02261711       0.33781676       0.38366287 
          0.08721859       0.25803938       0.50297900 
          0.93288036       0.50370444       0.19712173 
          0.90951386       0.20342948       0.39973879 
          0.03737163       0.36845598       0.59485693 
          0.69446625       0.74853620       0.59153227 
          0.89355566       0.06084737       0.06932737 
          0.62536272       0.44096022       0.84809655 
          0.58517474       0.44619195       0.83320116 
          0.04941679       0.72128035       0.58667148 
          0.25502769       0.28509890       0.79098279 
          0.05719592       0.76307270       0.50777955 
          0.76457740       0.97133222       0.44465191 
          0.25397382       0.71047845       0.35393248 
          0.18854069       0.56485912       0.15011177 
          0.80038591       0.01947990       0.83386879 
          0.58320925       0.98059807       0.40051119 
          0.25033962       0.28047946       0.54080390 
          0.70972518       0.99926294       0.46849838 
          0.32245181       0.41560918       0.74187522 
          0.20583788       0.93766577       0.27538592 
          0.78541241       0.45968809       0.51354546 
          0.36180169       0.11480782       0.44234759 
          0.10593760       0.07520292       0.71701085 
          0.58653161       0.54488514       0.80512775 
          0.09016739       0.33709747       0.10182804 
  
 
 
  
       3.11    3.32
       3.23    3.44
   
         74.00007382 
       -115.00623737 
      -5146.05937579 
         55.50929810 
       5642.42690935 
      -5222.73511433 
         -0.00184088 
       -394.66157173 
       6953.63384995 
       1847.10599112 
       1847.10783200 
       1847.10660475 
   
  
  
       7.98    7.99
       7.98    7.99
   
        820.07615373 
        820.07069014 
        820.07433254 
   
  
  
      10.36   10.37
      10.36   10.37
   
        621.06812189 
        621.08163854 
        621.07262744 
   
  
  
       9.35    9.35
       9.35    9.35
   
        606.60476858 
        606.66078793 
        606.62344170 
   
  
  
       9.34    9.35
       9.38    9.38
   
        606.03533363 
        606.09336956 
        606.05467894 
   
  
  
      10.52   10.52
      10.68   10.69
   
        577.48910122 
        577.47217975 
        577.48346073 
   
  
  
      11.14   11.14
      11.29   11.29
   
        -17.93617338 
        -17.94962615 
        -17.94065764 
   
  
  
       9.32    9.32
       9.46    9.47
   
        728.50341565 
        728.49251192 
        728.49978107 
   
  
  
       8.92    8.92
       9.06    9.07
   
        650.43552399 
        650.46576277 
        650.44560359 
   
  
  
       8.36    8.36
       8.51    8.51
   
        652.68557155 
        652.71330947 
        652.69481752 
   
  
  
       8.25    8.25
       8.40    8.40
   
        652.60625532 
        652.63041477 
        652.61430847 
   
  
  
       9.14    9.14
       9.29    9.29
   
        654.30996817 
        654.30679131 
        654.30890922 
   
  
  
       7.82    7.82
       7.97    7.97
   
        653.29086707 
        653.29296593 
        653.29156669 
   
  
  
       8.16    8.16
       8.31    8.31
   
        646.00215025 
        646.01483399 
        646.00637816 
   
  
  
       8.15    8.15
       8.29    8.30
   
        614.62246437 
        614.65414283 
        614.63302385 
   
  
  
       7.73    7.74
       7.88    7.89
   
        576.03062481 
        575.98808425 
        576.01644463 
   
  
  
       7.96    7.96
       8.12    8.12
   
        643.98765370 
        643.94065722 
        643.97198821 
   
  
  
       7.82    7.83
       7.98    7.98
   
        678.50969054 
        678.55866319 
        678.52601476 
   
  
  
       9.17    9.17
       9.32    9.33
   
        679.00323663 
        679.01928691 
        679.00858672 
   
  
  
       7.96    7.97
       8.12    8.13
   
        703.62226711 
        703.63495474 
        703.62649632 
   
  
  
       7.93    7.93
       8.07    8.08
   
        669.44167132 
        669.44398274 
        669.44244179 
   
  
  
       8.38    8.38
       8.54    8.55
   
        667.95229884 
        667.91584648 
        667.94014805 
   
  
  
       9.34    9.34
       9.49    9.50
   
        656.91279243 
        656.90821482 
        656.91126656 
   
  
  
       8.08    8.09
       8.24    8.25
   
        654.02237352 
        654.02554518 
        654.02343074 
   
  
  
       8.55    8.55
       8.71    8.72
   
        653.49354219 
        653.50133414 
        653.49613951 
   
  
  
       7.40    7.40
       7.58    7.58
   
        656.53267636 
        656.50994848 
        656.52510040 
   
  
  
       7.60    7.60
       7.76    7.77
   
        643.16889096 
        643.18640563 
        643.17472918 
   
  
  
       7.11    7.12
       7.27    7.27
   
        639.04917055 
        639.05276934 
        639.05037015 
   
  
  
       8.24    8.25
       8.40    8.40
   
        658.57061110 
        658.58352857 
        658.57491692 
   
  
  
       6.96    6.96
       7.13    7.13
   
        688.27321649 
        688.28953109 
        688.27865469 
   
  
  
       7.71    7.71
       7.86    7.87
   
        694.81163369 
        694.85890753 
        694.82739164 
   
  
  
       7.01    7.02
       7.16    7.17
   
        690.37932913 
        690.41879934 
        690.39248587 
   
  
  
       7.26    7.26
       7.41    7.41
   
        679.48785031 
        679.48579005 
        679.48716355 
   
  
  
       7.46    7.47
       7.61    7.62
   
        676.03789096 
        676.06109051 
        676.04562415 
   
  
  
       7.08    7.08
       7.23    7.23
   
        669.01686921 
        669.05776234 
        669.03050025 
   
  
  
       6.33    6.33
       6.49    6.49
   
        667.42879076 
        667.41746131 
        667.42501428 
   
  
  
       5.35    5.35
       5.50    5.50
   
        674.81234812 
        674.81400612 
        674.81290078 
   
  
  
       5.13    5.13
       5.28    5.28
   
        667.46914708 
        667.46274037 
        667.46701151 
   
  
  
       4.76    4.77
       4.91    4.92
   
        632.33917115 
        632.32832616 
        632.33555615 
   
  
  
       5.69    5.70
       5.85    5.85
   
        702.42824923 
        702.41463793 
        702.42371213 
   
  
  
       4.75    4.76
       4.91    4.91
   
        691.33452391 
        691.35239047 
        691.34047943 
   
  
  
       4.36    4.37
       4.52    4.52
   
        607.90165004 
        607.91042544 
        607.90457518 
   
  
  
       2.08    2.10
       2.24    2.26
   
        597.20201713 
        597.18894454 
        597.19765960 
   
  
  
       1.66    1.68
       1.82    1.83
   
        593.46636323 
        593.43156120 
        593.45476255 
   
  
  
       1.69    1.70
       1.85    1.85
   
        597.90261627 
        597.87677403 
        597.89400219 
   
  
  
       1.68    1.69
       1.84    1.84
   
        595.20182675 
        595.22431907 
        595.20932419 
   
  
  
       1.90    1.90
       2.06    2.06
   
      -8105.43877929 
      -8105.42275520 
      -8105.43343793 
   
  
  
       1.39    1.39
       1.55    1.55
   
        609.33397096 
        609.37983321 
        609.34925837 
   
  
  
       1.66    1.66
       1.82    1.82
   
        591.40305137 
        591.40495810 
        591.40368695 
   
  
  
       1.63    1.63
       1.79    1.79
   
        597.80181821 
        597.80261587 
        597.80208410 
   
  
  
       1.40    1.41
       1.56    1.56
   
        221.59082529 
        221.60561396 
        221.59575484 
   
  
  
       1.50    1.50
       1.65    1.66
   
        220.04167275 
        220.00925708 
        220.03086753 
   
  
  
       1.98    1.98
       2.14    2.14
   
      -2984.04360046 
      -2984.06736059 
      -2984.05152050 
   
  
  
       1.18    1.18
       1.33    1.34
   
     105456.11186951 
     105456.10766936 
     105456.11046946 
   
  
  
       1.91    1.91
       2.07    2.07
   
        104.34268675 
        104.32960950 
        104.33832767 
   
  
  
       1.86    1.86
       2.01    2.02
   
        563.23109279 
        563.22171908 
        563.22796822 
   
  
  
       1.93    1.93
       2.08    2.08
   
        511.81947358 
        511.80856951 
        511.81583889 
   
  
  
       1.67    1.67
       1.83    1.83
   
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