vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 04 27 
  06:39:24 
 
 
  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      0.82000000      0.32000000
  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 
    
   
   
           0.40347066       0.33150339       0.27705320 
           0.48697581       0.38463028       0.05868997 
           0.57991362       0.30639101       0.59784516 
           0.69580521       0.38148589       0.75243777 
           0.34185132       0.45586946       0.25442257 
           0.50284798       0.53746058       0.11591077 
           0.13445265       0.36971886       0.81794300 
           0.91058949       0.45561807       0.50136188 
           0.43775554       0.39922390       0.62834965 
           0.34050342       0.23846927       0.24383231 
           0.91132178       0.45477509       0.54570316 
           0.54799921       0.23981126       0.92556379 
           0.84511998       0.27210887       0.43416959 
           0.93267015       0.30904735       0.96214869 
           0.17467197       0.26207991       0.57699482 
           0.20760938       0.33334664       0.88706778 
           0.11242379       0.50634863       0.34623107 
           0.15957224       0.53949876       0.71215604 
           0.00448876       0.55251897       0.49384777 
           0.13225168       0.36900093       0.29445536 
           0.78549306       0.16836260       0.21953695 
           0.12023539       0.40849343       0.78545240 
           0.08081631       0.17961220       0.94285990 
           0.79444573       0.62193220       0.53028247 
           0.83828350       0.28325625       0.66395793 
           0.34897405       0.22139601       0.61384404 
           0.56077858       0.17257134       0.85682788 
           0.77273434       0.12262976       0.46243940 
           0.07841050       0.10212067       0.89861916 
           0.85410272       0.98813979       0.40602514 
           0.07964657       0.31911075       0.01376894 
           0.17857550       0.19739938       0.62805732 
           0.42345849       0.19630940       0.77915035 
           0.66747259       0.14422199       0.60410113 
           0.93851858       0.07780025       0.86604058 
           0.26513635       0.57970764       0.95750188 
           0.56890517       0.60622925       0.99912099 
           0.68373877       0.31184491       0.34822827 
   
  
  
           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 
  
 
 
  
          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
       605.39200000
         0.00001000
       38
       10
       93
       -1
       -1
       144.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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
     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
           0.00000003
           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      0.82000000      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  
        28.08500000     16.00000000     10.81100000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         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
        16.60472456
         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  
  
 
 
        38 
         4 
  
   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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    B    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      23Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       7O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
       7H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           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 
   
  
  
          0.40347066       0.33150339       0.27705320 
          0.48697581       0.38463028       0.05868997 
          0.57991362       0.30639101       0.59784516 
          0.69580521       0.38148589       0.75243777 
          0.34185132       0.45586946       0.25442257 
          0.50284798       0.53746058       0.11591077 
          0.13445265       0.36971886       0.81794300 
          0.91058949       0.45561807       0.50136188 
          0.43775554       0.39922390       0.62834965 
          0.34050342       0.23846927       0.24383231 
          0.91132178       0.45477509       0.54570316 
          0.54799921       0.23981126       0.92556379 
          0.84511998       0.27210887       0.43416959 
          0.93267015       0.30904735       0.96214869 
          0.17467197       0.26207991       0.57699482 
          0.20760938       0.33334664       0.88706778 
          0.11242379       0.50634863       0.34623107 
          0.15957224       0.53949876       0.71215604 
          0.00448876       0.55251897       0.49384777 
          0.13225168       0.36900093       0.29445536 
          0.78549306       0.16836260       0.21953695 
          0.12023539       0.40849343       0.78545240 
          0.08081631       0.17961220       0.94285990 
          0.79444573       0.62193220       0.53028247 
          0.83828350       0.28325625       0.66395793 
          0.34897405       0.22139601       0.61384404 
          0.56077858       0.17257134       0.85682788 
          0.77273434       0.12262976       0.46243940 
          0.07841050       0.10212067       0.89861916 
          0.85410272       0.98813979       0.40602514 
          0.07964657       0.31911075       0.01376894 
          0.17857550       0.19739938       0.62805732 
          0.42345849       0.19630940       0.77915035 
          0.66747259       0.14422199       0.60410113 
          0.93851858       0.07780025       0.86604058 
          0.26513635       0.57970764       0.95750188 
          0.56890517       0.60622925       0.99912099 
          0.68373877       0.31184491       0.34822827 
  
 
 
  
       3.65    3.74
       4.08    4.17
   
         54.17789902 
      18475.89166132 
     -22481.89484656 
          3.73647248 
       4511.13178693 
      -4118.28382416 
         -0.00890183 
       -196.87964237 
       5554.87326301 
       1802.74386785 
       1802.75276968 
       1802.74683512 
   
  
  
       5.70    5.71
       5.70    5.71
   
        836.66929607 
        836.64442838 
        836.66100684 
   
  
  
       6.48    6.49
       6.48    6.49
   
        636.52810705 
        636.54849579 
        636.53490330 
   
  
  
       5.72    5.74
       5.73    5.74
   
        621.45956353 
        621.43599835 
        621.45170847 
   
  
  
       5.81    5.82
       5.87    5.88
   
        620.94585494 
        620.91902582 
        620.93691190 
   
  
  
       6.30    6.31
       6.58    6.59
   
        581.09097051 
        581.07971319 
        581.08721807 
   
  
  
       6.58    6.60
       6.83    6.84
   
        541.41347343 
        541.45346506 
        541.42680398 
   
  
  
       6.21    6.22
       6.49    6.51
   
        691.99273507 
        692.01543441 
        692.00030151 
   
  
  
       5.38    5.39
       5.64    5.65
   
        664.27984160 
        664.28614937 
        664.28194419 
   
  
  
       5.51    5.53
       5.84    5.87
   
        663.60283644 
        663.60750004 
        663.60439097 
   
  
  
       5.53    5.55
       5.88    5.90
   
        661.27602425 
        661.27218273 
        661.27474375 
   
  
  
       5.63    5.64
       5.96    5.97
   
        651.33914999 
        651.31903407 
        651.33244468 
   
  
  
       5.19    5.20
       5.47    5.49
   
        688.08683969 
        688.09539554 
        688.08969164 
   
  
  
       5.66    5.68
       5.99    6.00
   
        560.57722964 
        560.58126011 
        560.57857313 
   
  
  
       5.28    5.29
       5.59    5.60
   
        557.07974461 
        557.10263440 
        557.08737454 
   
  
  
       5.48    5.49
       5.73    5.74
   
        578.24494501 
        578.27496787 
        578.25495263 
   
  
  
       5.66    5.67
       5.96    5.97
   
        568.10881401 
        568.12009368 
        568.11257390 
   
  
  
       5.36    5.37
       5.62    5.63
   
        513.41529281 
        513.37478974 
        513.40179179 
   
  
  
       5.55    5.56
       5.80    5.82
   
        476.13567522 
        476.15754264 
        476.14296436 
   
  
  
       5.38    5.40
       5.64    5.66
   
        445.20959445 
        445.20141431 
        445.20686774 
   
  
  
       5.44    5.46
       5.71    5.73
   
        411.19318945 
        411.17332089 
        411.18656660 
   
  
  
       5.18    5.20
       5.53    5.54
   
        434.01136883 
        434.00293021 
        434.00855596 
   
  
  
       5.21    5.23
       5.48    5.51
   
        532.71100841 
        532.72699208 
        532.71633630 
   
  
  
       5.10    5.12
       5.38    5.39
   
        552.26475275 
        552.34570433 
        552.29173661 
   
  
  
       5.79    5.80
       6.05    6.07
   
        582.87796172 
        582.87772294 
        582.87788213 
   
  
  
       4.92    4.94
       5.18    5.20
   
        635.44434004 
        635.43357726 
        635.44075245 
   
  
  
       4.45    4.49
       4.73    4.78
   
        658.82531206 
        658.81177157 
        658.82079856 
   
  
  
       4.53    4.54
       4.80    4.82
   
        658.05814559 
        658.05145540 
        658.05591553 
   
  
  
       4.82    4.84
       5.08    5.10
   
        648.54295382 
        648.54852512 
        648.54481092 
   
  
  
       2.85    2.87
       3.20    3.23
   
        650.97272538 
        650.93864834 
        650.96136636 
   
  
  
       2.59    2.60
       2.91    2.92
   
        666.37989009 
        666.37137018 
        666.37705012 
   
  
  
       1.73    1.74
       1.99    2.01
   
        665.28926501 
        665.28217733 
        665.28690245 
   
  
  
       1.83    1.86
       2.11    2.14
   
        666.69946169 
        666.69155231 
        666.69682523 
   
  
  
       1.86    1.87
       2.11    2.12
   
        663.51533091 
        663.50177748 
        663.51081310 
   
  
  
       1.75    1.76
       1.99    2.00
   
        674.08078898 
        674.07111733 
        674.07756510 
   
  
  
       1.68    1.69
       1.91    1.93
   
        668.23072282 
        668.23165747 
        668.23103437 
   
  
  
       1.55    1.56
       1.79    1.80
   
        666.83624519 
        666.85168302 
        666.84139113 
   
  
  
       1.48    1.50
       1.73    1.74
   
        649.57472262 
        649.57277124 
        649.57407216 
   
  
  
       1.55    1.55
       1.78    1.79
   
        640.45306482 
        640.42480048 
        640.44364338 
   
  
  
       1.45    1.46
       1.69    1.70
   
        637.88663294 
        637.84705106 
        637.87343898 
   
  
  
       1.59    1.60
       1.83    1.84
   
        636.29705090 
        636.26682342 
        636.28697507 
   
  
  
       1.51    1.52
       1.75    1.76
   
        638.05860647 
        638.03079436 
        638.04933577 
   
  
  
       1.64    1.65
       1.89    1.90
   
        636.57700607 
        636.54593657 
        636.56664957 
   
  
  
       1.68    1.69
       1.93    1.94
   
        624.99025321 
        624.95741178 
        624.97930606 
   
  
  
       1.57    1.58
       1.83    1.83
   
        626.02324418 
        625.98881648 
        626.01176828 
   
  
  
       1.70    1.71
       1.96    1.98
   
        613.61379696 
        613.59681742 
        613.60813711 
   
  
  
       1.54    1.55
       1.79    1.80
   
        612.26697212 
        612.25147066 
        612.26180497 
   
  
  
       1.71    1.72
       1.96    1.97
   
        611.38054818 
        611.36486126 
        611.37531920 
   
  
  
       1.74    1.75
       1.99    2.00
   
        602.80691069 
        602.82228589 
        602.81203576 
   
  
  
       1.54    1.55
       1.78    1.80
   
        602.29020371 
        602.30355662 
        602.29465468 
   
  
  
       1.09    1.10
       1.33    1.34
   
        376.82975866 
        376.82357747 
        376.82769826 
   
  
  
       1.24    1.25
       1.47    1.48
   
        364.70471971 
        364.68440725 
        364.69794889 
   
  
  
       1.48    1.50
       1.71    1.73
   
        359.33266484 
        359.35947080 
        359.34160016 
   
  
  
       1.29    1.30
       1.51    1.52
   
        493.49220575 
        493.47644679 
        493.48695276 
   
  
  
       1.13    1.14
       1.35    1.36
   
        531.59853593 
        531.60006400 
        531.59904529 
   
  
  
       1.20    1.21
       1.42    1.43
   
        594.47838171 
        594.46618538 
        594.47431627 
   
  
  
       1.05    1.06
       1.28    1.29
   
        594.65496342 
        594.66322184 
        594.65771623 
   
  
  
       1.15    1.16
       1.37    1.38
   
        584.75845813 
        584.77118214 
        584.76269946 
   
  
  
       1.12    1.13
       1.35    1.36
   
        597.60746191 
        597.61988390 
        597.61160257 
   
  
  
       1.13    1.14
       1.36    1.37
   
        635.94059034 
        635.94925069 
        635.94347712 
   
  
  
       1.27    1.29
       1.50    1.51
   
        615.71409555 
        615.72156883 
        615.71658664 
   
  
  
       1.04    1.05
       1.27    1.28
   
        533.67489955 
        533.65178631 
        533.66719514 
   
  
  
       0.84    0.85
       1.07    1.08
   
        504.47114683 
        504.47114990 
        504.47114785 
   
  
  
       1.41    1.42
       1.63    1.64
   
      -4985.88300100 
      -4985.86359414 
      -4985.87653204 
   
  
  
       1.12    1.13
       1.35    1.36
   
        497.91291514 
        497.91300272 
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        535.42515437 
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        496.59331010 
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       1.08    1.09
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        479.33126407 
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        463.30482115 
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        393.64889874 
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         75.48103358 
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        303.58502865 
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        457.52256099 
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        504.35380549 
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