vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 09 
  16:31:09 
 
 
  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 
    
   
   
           0.73220374       0.10632027       0.82756598 
           0.57285193       0.04072599       0.03840265 
           0.06305389       0.43552726       0.49741131 
           0.91561827       0.78998154       0.53623995 
           0.72870222       0.25806189       0.94270497 
           0.92987217       0.08225098       0.80941394 
           0.35151533       0.83365423       0.70312492 
           0.57677680       0.49244492       0.27618093 
           0.62339273       0.44669724       0.63767220 
           0.91139079       0.19532618       0.34872424 
           0.09893481       0.11967637       0.58919574 
           0.59406091       0.43854380       0.70154723 
           0.80222667       0.41102624       0.85942739 
           0.94270254       0.56850748       0.00267745 
           0.37441502       0.55564126       0.34371233 
           0.62011871       0.42737367       0.54171501 
           0.96250567       0.47056015       0.84521378 
           0.39933829       0.17594217       0.36291618 
           0.75595908       0.31528505       0.16290778 
           0.35613104       0.37940038       0.48392193 
           0.31464208       0.97875891       0.39763395 
           0.32800747       0.15319044       0.56861657 
           0.20562273       0.70923074       0.15082820 
           0.20992801       0.49989783       0.97477706 
           0.59135638       0.79915249       0.02069817 
           0.15683043       0.75111915       0.45291495 
           0.26586049       0.69411839       0.13516321 
           0.91598862       0.35017042       0.92604638 
           0.84232389       0.55579226       0.76659010 
           0.21674266       0.91507367       0.82115547 
           0.81644288       0.59185478       0.06006202 
           0.47699195       0.31557630       0.62192821 
           0.82576398       0.57167348       0.46183900 
           0.02783498       0.74014447       0.91458926 
           0.66642495       0.30385672       0.40044550 
           0.23003967       0.06056110       0.14452764 
           0.13965701       0.80759668       0.50871910 
           0.57545023       0.53663566       0.81021494 
           0.54855175       0.21241962       0.56603875 
           0.63076017       0.83860785       0.64881264 
           0.16974683       0.63943921       0.56223576 
           0.58070232       0.21984469       0.55428758 
           0.06852041       0.52054021       0.69565802 
           0.37296848       0.77220502       0.68922271 
   
  
  
           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 
   
  
  
          0.73220374       0.10632027       0.82756598 
          0.57285193       0.04072599       0.03840265 
          0.06305389       0.43552726       0.49741131 
          0.91561827       0.78998154       0.53623995 
          0.72870222       0.25806189       0.94270497 
          0.92987217       0.08225098       0.80941394 
          0.35151533       0.83365423       0.70312492 
          0.57677680       0.49244492       0.27618093 
          0.62339273       0.44669724       0.63767220 
          0.91139079       0.19532618       0.34872424 
          0.09893481       0.11967637       0.58919574 
          0.59406091       0.43854380       0.70154723 
          0.80222667       0.41102624       0.85942739 
          0.94270254       0.56850748       0.00267745 
          0.37441502       0.55564126       0.34371233 
          0.62011871       0.42737367       0.54171501 
          0.96250567       0.47056015       0.84521378 
          0.39933829       0.17594217       0.36291618 
          0.75595908       0.31528505       0.16290778 
          0.35613104       0.37940038       0.48392193 
          0.31464208       0.97875891       0.39763395 
          0.32800747       0.15319044       0.56861657 
          0.20562273       0.70923074       0.15082820 
          0.20992801       0.49989783       0.97477706 
          0.59135638       0.79915249       0.02069817 
          0.15683043       0.75111915       0.45291495 
          0.26586049       0.69411839       0.13516321 
          0.91598862       0.35017042       0.92604638 
          0.84232389       0.55579226       0.76659010 
          0.21674266       0.91507367       0.82115547 
          0.81644288       0.59185478       0.06006202 
          0.47699195       0.31557630       0.62192821 
          0.82576398       0.57167348       0.46183900 
          0.02783498       0.74014447       0.91458926 
          0.66642495       0.30385672       0.40044550 
          0.23003967       0.06056110       0.14452764 
          0.13965701       0.80759668       0.50871910 
          0.57545023       0.53663566       0.81021494 
          0.54855175       0.21241962       0.56603875 
          0.63076017       0.83860785       0.64881264 
          0.16974683       0.63943921       0.56223576 
          0.58070232       0.21984469       0.55428758 
          0.06852041       0.52054021       0.69565802 
          0.37296848       0.77220502       0.68922271 
  
 
 
  
       6.76    6.86
       6.89    6.99
   
         74.00007382 
       1204.77723772 
      -6802.37744892 
         41.70720448 
       5642.42690935 
      -5222.73511433 
         -0.02283755 
       -201.09960064 
       6953.63384995 
       1690.31027388 
       1690.33311143 
       1690.31788640 
   
  
  
       9.15    9.16
       9.15    9.16
   
        607.56876762 
        607.55746850 
        607.56500125 
   
  
  
      10.37   10.37
      10.37   10.38
   
        359.22903365 
        359.23784499 
        359.23197076 
   
  
  
       9.25    9.25
       9.25    9.25
   
        343.49531044 
        343.45497802 
        343.48186630 
   
  
  
       9.61    9.61
       9.64    9.64
   
        342.83057511 
        342.79000790 
        342.81705270 
   
  
  
      10.52   10.52
      10.66   10.67
   
        358.64789765 
        358.64856962 
        358.64812164 
   
  
  
      11.13   11.13
      11.27   11.28
   
       -653.16866146 
       -653.13315653 
       -653.15682649 
   
  
  
      11.01   11.01
      11.16   11.17
   
        339.57112242 
        339.58153263 
        339.57459249 
   
  
  
      10.05   10.06
      10.20   10.21
   
        479.86026855 
        479.84442392 
        479.85498701 
   
  
  
       9.27    9.27
       9.41    9.42
   
        428.02822405 
        428.00053841 
        428.01899550 
   
  
  
       8.49    8.50
       8.64    8.65
   
        418.13276785 
        418.14830649 
        418.13794740 
   
  
  
       9.35    9.35
       9.50    9.50
   
        278.41425356 
        278.44770695 
        278.42540469 
   
  
  
       8.91    8.92
       9.06    9.07
   
        246.34508424 
        246.32951956 
        246.33989601 
   
  
  
       8.30    8.30
       8.45    8.46
   
        263.98046112 
        264.01209461 
        263.99100562 
   
  
  
       8.68    8.68
       8.84    8.84
   
        237.56651839 
        237.55384680 
        237.56229453 
   
  
  
       7.92    7.93
       8.09    8.09
   
        246.42180475 
        246.38941279 
        246.41100743 
   
  
  
       8.65    8.66
       8.81    8.83
   
        251.75351227 
        251.69692458 
        251.73464971 
   
  
  
       8.07    8.08
       8.23    8.23
   
        117.32373073 
        117.36587322 
        117.33777823 
   
  
  
       8.05    8.07
       8.21    8.23
   
        172.40477219 
        172.42795649 
        172.41250029 
   
  
  
       8.12    8.12
       8.30    8.30
   
        175.32051845 
        175.31944109 
        175.32015933 
   
  
  
       9.24    9.25
       9.40    9.40
   
       -315.53407908 
       -315.53312937 
       -315.53376251 
   
  
  
       7.89    7.90
       8.06    8.07
   
       -589.53574139 
       -589.56973339 
       -589.54707206 
   
  
  
       7.84    7.85
       7.99    8.00
   
       -458.14582101 
       -458.17480393 
       -458.15548198 
   
  
  
       8.46    8.50
       8.63    8.68
   
      -1676.97225877 
      -1676.94521982 
      -1676.96324579 
   
  
  
       6.51    6.52
       6.67    6.68
   
       -547.13120477 
       -547.10335448 
       -547.12192134 
   
  
  
       7.40    7.41
       7.57    7.57
   
      -8166.66962636 
      -8166.61438028 
      -8166.65121100 
   
  
  
       6.46    6.46
       6.62    6.62
   
      -4654.46485003 
      -4654.44066245 
      -4654.45678750 
   
  
  
       6.23    6.23
       6.38    6.39
   
      -7576.54229175 
      -7576.52767880 
      -7576.53742077 
   
  
  
       4.35    4.36
       4.50    4.50
   
         65.28010527 
         65.28967927 
         65.28329660 
   
  
  
       4.08    4.08
       4.23    4.23
   
        141.89485831 
        141.88728902 
        141.89233521 
   
  
  
       5.71    5.73
       5.86    5.88
   
      -2184.17791721 
      -2184.16197415 
      -2184.17260286 
   
  
  
       4.84    4.85
       4.98    5.00
   
       -566.80621072 
       -566.82878674 
       -566.81373606 
   
  
  
       4.18    4.19
       4.33    4.33
   
       -339.48163719 
       -339.45885059 
       -339.47404166 
   
  
  
       4.16    4.16
       4.31    4.31
   
       -567.93543213 
       -567.88750211 
       -567.91945546 
   
  
  
       3.73    3.73
       3.87    3.88
   
       -242.13066336 
       -242.13548614 
       -242.13227095 
   
  
  
       3.83    3.84
       3.98    3.98
   
       -160.83497014 
       -160.83620523 
       -160.83538183 
   
  
  
       4.22    4.23
       4.37    4.38
   
       -129.88262948 
       -129.84444373 
       -129.86990090 
   
  
  
       3.16    3.16
       3.31    3.31
   
        429.65794554 
        429.71165900 
        429.67585003 
   
  
  
       5.51    5.52
       5.67    5.67
   
      -1382.15511314 
      -1382.18038540 
      -1382.16353723 
   
  
  
       4.43    4.43
       4.58    4.59
   
     -16758.23303849 
     -16758.19055241 
     -16758.21887647 
   
  
  
       3.82    3.83
       3.97    3.98
   
        343.53151498 
        343.57933494 
        343.54745497 
   
  
  
       4.43    4.43
       4.58    4.59
   
        201.47057502 
        201.47645938 
        201.47253647 
   
  
  
       3.57    3.57
       3.72    3.73
   
        145.76890194 
        145.82806191 
        145.78862193 
   
  
  
       3.47    3.48
       3.62    3.63
   
        128.96867023 
        128.95813827 
        128.96515957 
   
  
  
       4.11    4.12
       4.27    4.27
   
        117.93158267 
        117.92850767 
        117.93055767 
   
  
  
       4.62    4.62
       4.77    4.78
   
      -7730.41647456 
      -7730.42817895 
      -7730.42037602 
   
  
  
       2.74    2.76
       2.90    2.91
   
     -13860.66110966 
     -13860.65866900 
     -13860.66029611 
   
  
  
       3.41    3.41
       3.57    3.57
   
       -561.20916844 
       -561.22900397 
       -561.21578028 
   
  
  
       3.23    3.23
       3.39    3.40
   
       -559.35534947 
       -559.30769303 
       -559.33946399 
   
  
  
       2.72    2.72
       2.87    2.88
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.73    2.73
       2.88    2.89
   
      -2355.92500264 
      -2355.93378035 
      -2355.92792854 
   
  
  
       3.25    3.25
       3.40    3.40
   
      -1609.77176229 
      -1609.73939772 
      -1609.76097410 
   
  
  
       3.16    3.17
       3.32    3.32
   
      -2467.39888025 
      -2467.41681427 
      -2467.40485826 
   
  
  
       2.95    2.95
       3.11    3.11
   
     -30012.92297624 
     -30012.92181094 
     -30012.92258781 
   
  
  
       3.24    3.24
       3.39    3.39
   
     -11624.55376487 
     -11624.56356548 
     -11624.55703174 
   
  
  
       2.20    2.22
       2.35    2.37
   
      -2460.43115007 
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       1.70    1.75
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      -6895.08058229 
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       1.66    1.66
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      -8267.66273869 
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       1.62    1.62
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     -23348.76383408 
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       1.70    1.71
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     -31862.01224833 
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       1.75    1.75
       1.90    1.90
   
     -38056.93669859 
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     -38056.93621020 
   
  
  
       1.68    1.69
       1.84    1.85
   
     -66106.64220383 
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     -66106.63770561 
   
  
  
       1.72    1.72
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     -44312.62488072 
     -44312.63756602 
     -44312.62910915 
   
  
  
       1.68    1.68
       1.83    1.84
   
    -117879.78897455 
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       1.77    1.78
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    -254838.61532052 
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       1.68    1.68
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    -146190.17370318 
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       1.67    1.67
       1.82    1.82
   
     -55777.26284149 
     -55777.26689840 
     -55777.26419379 
   
  
  
       1.62    1.62
       1.76    1.77
   
     -86237.15252340 
     -86237.16321772 
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       0.72    0.72
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    -347500.78227968 
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       0.77    0.77
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    -290641.57866546 
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    -290641.57239670 
   
  
  
       0.72    0.79
       0.87    0.94
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.72    0.73
       0.87    0.87
   
    -315775.22649470 
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       0.67    0.68
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    -449070.76371670 
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       0.73    0.74
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    -436284.60914869 
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