vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 02 05 
  23:08:00 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.75000000      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 
    
   
   
           0.58195337       0.83702844       0.27999504 
           0.15481933       0.10842789       0.74834444 
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           0.16546636       0.60954212       0.08868122 
           0.09894181       0.47541869       0.26215603 
           0.06356274       0.78256315       0.08499361 
           0.23578949       0.18591382       0.94133563 
           0.96763460       0.77568882       0.57890186 
           0.06990198       0.78711593       0.11992524 
           0.90482175       0.21794120       0.17274705 
           0.29900849       0.80778985       0.98146908 
           0.18021178       0.04528563       0.00134214 
           0.39292048       0.84360584       0.77298198 
           0.02949006       0.44104464       0.01686543 
           0.28937864       0.44046266       0.74544993 
           0.52400883       0.54764846       0.42754732 
           0.93922977       0.24565803       0.49392511 
           0.21560927       0.24619669       0.23946335 
           0.28590148       0.12812125       0.71244742 
           0.30684872       0.93364840       0.63363979 
           0.33786541       0.31679719       0.14193233 
           0.92507083       0.26074435       0.67041329 
           0.72861633       0.91581201       0.92437030 
           0.04347480       0.60802738       0.87375478 
           0.82310334       0.37662431       0.79639105 
           0.17208079       0.38025818       0.41053420 
           0.05125951       0.47964989       0.88495609 
           0.18601825       0.04553036       0.94380967 
           0.67674756       0.47424939       0.50631120 
           0.40313279       0.29755705       0.34029867 
           0.39572993       0.99404427       0.54605331 
           0.44225786       0.24915902       0.94748477 
           0.83697048       0.08914617       0.70604716 
           0.14710180       0.70821567       0.08161197 
           0.74940630       0.47184211       0.04605251 
           0.49542438       0.11949278       0.05122526 
           0.52711278       0.69190219       0.30321078 
           0.61412133       0.62619035       0.14373610 
           0.74275406       0.52624739       0.37415600 
           0.53849271       0.56652021       0.46560775 
           0.31487267       0.07410817       0.21563206 
           0.37672421       0.17753568       0.32119394 
           0.86631676       0.85724329       0.39663171 
           0.79465666       0.17420109       0.05924011 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
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          24 
          25 
          26 
          27 
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          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
       627.11200000
         0.00001000
       38
       10
      105
       -1
       -1
       160.00000000
        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  
   
   
        60
        -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      0.75000000      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     14.00100000     16.00000000     10.81100000      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
        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
       60
        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
    N    2
    N    2
    N    2
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    B    4
    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
   
      24Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       3N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       6O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
      10H       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 
   
  
  
          0.58195337       0.83702844       0.27999504 
          0.15481933       0.10842789       0.74834444 
          0.72312391       0.36987325       0.84084599 
          0.16546636       0.60954212       0.08868122 
          0.09894181       0.47541869       0.26215603 
          0.06356274       0.78256315       0.08499361 
          0.23578949       0.18591382       0.94133563 
          0.96763460       0.77568882       0.57890186 
          0.06990198       0.78711593       0.11992524 
          0.90482175       0.21794120       0.17274705 
          0.29900849       0.80778985       0.98146908 
          0.18021178       0.04528563       0.00134214 
          0.39292048       0.84360584       0.77298198 
          0.02949006       0.44104464       0.01686543 
          0.28937864       0.44046266       0.74544993 
          0.52400883       0.54764846       0.42754732 
          0.93922977       0.24565803       0.49392511 
          0.21560927       0.24619669       0.23946335 
          0.28590148       0.12812125       0.71244742 
          0.30684872       0.93364840       0.63363979 
          0.33786541       0.31679719       0.14193233 
          0.92507083       0.26074435       0.67041329 
          0.72861633       0.91581201       0.92437030 
          0.04347480       0.60802738       0.87375478 
          0.82310334       0.37662431       0.79639105 
          0.17208079       0.38025818       0.41053420 
          0.05125951       0.47964989       0.88495609 
          0.18601825       0.04553036       0.94380967 
          0.67674756       0.47424939       0.50631120 
          0.40313279       0.29755705       0.34029867 
          0.39572993       0.99404427       0.54605331 
          0.44225786       0.24915902       0.94748477 
          0.83697048       0.08914617       0.70604716 
          0.14710180       0.70821567       0.08161197 
          0.74940630       0.47184211       0.04605251 
          0.49542438       0.11949278       0.05122526 
          0.52711278       0.69190219       0.30321078 
          0.61412133       0.62619035       0.14373610 
          0.74275406       0.52624739       0.37415600 
          0.53849271       0.56652021       0.46560775 
          0.31487267       0.07410817       0.21563206 
          0.37672421       0.17753568       0.32119394 
          0.86631676       0.85724329       0.39663171 
          0.79465666       0.17420109       0.05924011 
  
 
 
  
       0.62    0.63
       0.79    0.80
   
         68.90227205 
        915.50887578 
      -4610.24267688 
          8.15927665 
       4873.90638680 
      -4465.26605717 
         -0.01185882 
       -272.26890953 
       6056.53671844 
       2575.22402733 
       2575.23588615 
       2575.22798027 
   
  
  
       0.76    0.77
       0.76    0.77
   
       1505.86191881 
       1505.82361189 
       1505.84914984 
   
  
  
       0.84    0.84
       0.84    0.85
   
       1294.27737052 
       1294.27835012 
       1294.27769706 
   
  
  
       0.73    0.73
       0.73    0.73
   
       1282.61410041 
       1282.62657708 
       1282.61825930 
   
  
  
       0.76    0.77
       0.80    0.81
   
       1282.22646943 
       1282.24026386 
       1282.23106757 
   
  
  
       0.79    0.79
       0.99    1.00
   
       1371.73088623 
       1371.75766411 
       1371.73981219 
   
  
  
       0.87    0.88
       1.06    1.07
   
       1091.66758614 
       1091.65474765 
       1091.66330664 
   
  
  
       0.99    1.00
       1.20    1.20
   
        329.13838592 
        329.16261239 
        329.14646141 
   
  
  
       0.79    0.80
       0.99    1.00
   
       1383.28042535 
       1383.28039289 
       1383.28041453 
   
  
  
       0.72    0.73
       0.92    0.93
   
       1358.50497480 
       1358.54194509 
       1358.51729823 
   
  
  
       0.74    0.75
       0.93    0.94
   
       1295.41007695 
       1295.38965444 
       1295.40326945 
   
  
  
       0.72    0.73
       0.92    0.93
   
       1296.65675435 
       1296.65146963 
       1296.65499278 
   
  
  
       0.78    0.79
       0.98    0.99
   
       1317.77111179 
       1317.76805909 
       1317.77009422 
   
  
  
       0.72    0.73
       0.92    0.93
   
       1297.78977457 
       1297.82548087 
       1297.80167667 
   
  
  
       0.81    0.82
       1.01    1.02
   
       1306.16143797 
       1306.16695038 
       1306.16327544 
   
  
  
       0.76    0.77
       0.95    0.96
   
       1342.94222135 
       1342.93641219 
       1342.94028496 
   
  
  
       0.74    0.75
       0.94    0.95
   
       1386.20082762 
       1386.18852584 
       1386.19672703 
   
  
  
       0.74    0.75
       0.93    0.95
   
       1376.30949833 
       1376.25947401 
       1376.29282356 
   
  
  
       0.80    0.81
       1.00    1.01
   
       1366.35600073 
       1366.35426546 
       1366.35542231 
   
  
  
       0.77    0.77
       0.97    0.98
   
       1343.35229759 
       1343.38954614 
       1343.36471377 
   
  
  
       0.67    0.68
       0.88    0.89
   
       1302.27234388 
       1302.26448097 
       1302.26972291 
   
  
  
       0.80    0.81
       1.00    1.01
   
       1357.36099635 
       1357.37217689 
       1357.36472320 
   
  
  
       0.75    0.76
       0.95    0.96
   
       1382.39419913 
       1382.39073762 
       1382.39304529 
   
  
  
       0.76    0.77
       0.96    0.97
   
       1385.56392755 
       1385.56059067 
       1385.56281525 
   
  
  
       0.76    0.77
       0.96    0.97
   
       1408.75044479 
       1408.76119895 
       1408.75402951 
   
  
  
       0.76    0.77
       0.96    0.97
   
       1399.79468925 
       1399.78096801 
       1399.79011550 
   
  
  
       0.77    0.78
       0.98    0.99
   
       1419.18617341 
       1419.15304778 
       1419.17513153 
   
  
  
       0.80    0.81
       1.00    1.01
   
       1416.85547644 
       1416.86200616 
       1416.85765301 
   
  
  
       0.73    0.74
       0.94    0.94
   
       1412.94029491 
       1412.93384785 
       1412.93814589 
   
  
  
       0.71    0.72
       0.92    0.93
   
       1413.47004263 
       1413.55352367 
       1413.49786964 
   
  
  
       0.66    0.67
       0.87    0.88
   
       1407.65255731 
       1407.64671202 
       1407.65060888 
   
  
  
       0.96    0.97
       1.16    1.17
   
    -145202.69223199 
    -145202.68260228 
    -145202.68902209