vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 18 
  20:45:17 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      95
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.81175760       0.39119112       0.58983859 
           0.82854766       0.42113133       0.64797992 
           0.85133865       0.40209413       0.54608935 
           0.14260991       0.52010390       0.36369958 
           0.19470248       0.61695746       0.37228628 
           0.21402691       0.53204516       0.29310003 
           0.10111688       0.55643139       0.65694114 
           0.14293815       0.64475432       0.59987720 
           0.09743311       0.56233646       0.53812743 
           0.41204256       0.43838589       0.29387696 
           0.40924862       0.34744575       0.37102902 
           0.33706492       0.41704395       0.35582740 
           0.51660388       0.27306198       0.57290035 
           0.52413410       0.35009773       0.48256349 
           0.54197345       0.38539270       0.59419840 
           0.23908291       0.69564054       0.50505788 
           0.29487819       0.67115242       0.59346075 
           0.32181092       0.66052229       0.48081361 
           0.43298613       0.62101486       0.55892336 
           0.44131819       0.55838941       0.65929511 
           0.50440935       0.55289228       0.57585806 
           0.31501409       0.45102179       0.64137763 
           0.29930564       0.38241316       0.54838231 
           0.31643628       0.44966314       0.56779007 
           0.19466544       0.54425800       0.36070143 
           0.12985855       0.57328806       0.59671152 
           0.39220786       0.41635407       0.35863514 
           0.50904421       0.34287292       0.55297277 
           0.27931425       0.65026291       0.52623896 
           0.45010732       0.55720964       0.58687482 
           0.40627702       0.46054358       0.53421052 
           0.25281601       0.53021065       0.52635072 
           0.23539405       0.49757399       0.42288507 
           0.18748819       0.51786905       0.59400937 
           0.41610982       0.47637143       0.42531699 
           0.44019273       0.36432950       0.56570841 
   
  
  
           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 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       80
       -1
       -1
        87.00000000
        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
   
   
         2
     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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        95
        -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
   
  
  
       98
       80
       80
      196
      160
      160
    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
         0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
      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
  
  
        2
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        14.00100000      1.00000000     12.01100000     28.08500000     16.00000000
         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
        75.00000000
         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
       95
        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  
  
 
 
        36 
         5 
  
   ion
   element
   atomtype
   
    N    1
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    Si   4
    Si   4
    O    5
    O    5
    O    5
    O    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      22H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       7C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.81175760       0.39119112       0.58983859 
          0.82854766       0.42113133       0.64797992 
          0.85133865       0.40209413       0.54608935 
          0.14260991       0.52010390       0.36369958 
          0.19470248       0.61695746       0.37228628 
          0.21402691       0.53204516       0.29310003 
          0.10111688       0.55643139       0.65694114 
          0.14293815       0.64475432       0.59987720 
          0.09743311       0.56233646       0.53812743 
          0.41204256       0.43838589       0.29387696 
          0.40924862       0.34744575       0.37102902 
          0.33706492       0.41704395       0.35582740 
          0.51660388       0.27306198       0.57290035 
          0.52413410       0.35009773       0.48256349 
          0.54197345       0.38539270       0.59419840 
          0.23908291       0.69564054       0.50505788 
          0.29487819       0.67115242       0.59346075 
          0.32181092       0.66052229       0.48081361 
          0.43298613       0.62101486       0.55892336 
          0.44131819       0.55838941       0.65929511 
          0.50440935       0.55289228       0.57585806 
          0.31501409       0.45102179       0.64137763 
          0.29930564       0.38241316       0.54838231 
          0.31643628       0.44966314       0.56779007 
          0.19466544       0.54425800       0.36070143 
          0.12985855       0.57328806       0.59671152 
          0.39220786       0.41635407       0.35863514 
          0.50904421       0.34287292       0.55297277 
          0.27931425       0.65026291       0.52623896 
          0.45010732       0.55720964       0.58687482 
          0.40627702       0.46054358       0.53421052 
          0.25281601       0.53021065       0.52635072 
          0.23539405       0.49757399       0.42288507 
          0.18748819       0.51786905       0.59400937 
          0.41610982       0.47637143       0.42531699 
          0.44019273       0.36432950       0.56570841 
  
 
 
  
       2.74    2.96
       5.73    5.96
   
          6.34847707 
       5561.12203227 
      -8126.14241616 
        264.04345324 
       2564.72054280 
      -2541.99018201 
         -0.00137445 
       -610.69488524 
       3504.07976474 
        621.48541227 
        621.48678671 
        621.48587041 
   
  
  
       4.90    4.92
       4.90    4.92
   
         80.87165868 
         80.85804560 
         80.86712099 
   
  
  
       4.95    4.95
       4.95    4.95
   
       -147.70761449 
       -147.70972069 
       -147.70831655 
   
  
  
       4.93    4.94
       4.93    4.94
   
       -169.27484621 
       -169.28892410 
       -169.27953884 
   
  
  
       5.44    5.45
       5.73    5.74
   
       -169.74166333 
       -169.75619324 
       -169.74650663 
   
  
  
       3.95    3.98
       6.78    6.81
   
        -71.32275593 
        -71.33941605 
        -71.32830931 
   
  
  
       3.78    3.86
       8.16    8.26
   
       -121.54178655 
       -121.55835468 
       -121.54730926 
   
  
  
       2.98    3.06
       7.07    7.18
   
       -136.45163601 
       -136.47047056 
       -136.45791419 
   
  
  
       2.85    2.94
       6.21    6.31
   
       -165.09576831 
       -165.12194237 
       -165.10449300 
   
  
  
       3.41    3.47
       7.37    7.45
   
       -176.68926754 
       -176.72187490 
       -176.70013666 
   
  
  
       3.34    3.44
       7.31    7.43
   
       -183.61847524 
       -183.64839082 
       -183.62844710 
   
  
  
       3.42    3.49
       7.82    7.90
   
       -188.26799668 
       -188.29608502 
       -188.27735946 
   
  
  
       3.32    3.43
       7.00    7.11
   
       -189.32887640 
       -189.36327068 
       -189.34034116 
   
  
  
       2.61    2.68
       6.26    6.33
   
       -190.39881556 
       -190.43155215 
       -190.40972776 
   
  
  
       2.92    2.97
       6.36    6.41
   
       -190.73726704 
       -190.77219185 
       -190.74890864 
   
  
  
       2.88    2.93
       6.86    6.93
   
       -191.34196662 
       -191.37698125 
       -191.35363816 
   
  
  
       3.14    3.18
       7.91    7.97
   
       -191.71234507 
       -191.74742845 
       -191.72403953 
   
  
  
       3.44    3.49
       7.99    8.04
   
       -191.91459341 
       -191.94983679 
       -191.92634120 
   
  
  
       3.24    3.31
       7.40    7.49
   
       -192.06011394 
       -192.09538433 
       -192.07187074 
   
  
  
       2.96    3.04
       7.02    7.11
   
       -192.12226583 
       -192.15751824 
       -192.13401663 
   
  
  
       3.21    3.31
       6.64    6.75
   
       -192.13452209 
       -192.16977295 
       -192.14627238 
   
  
  
       2.75    2.82
       6.25    6.33
   
       -192.13711793 
       -192.17238127 
       -192.14887238 
   
  
  
       2.98    3.07
       7.37    7.46
   
       -192.13854505 
       -192.17381604 
       -192.15030204 
   
  
  
       3.09    3.23
       7.89    8.04
   
       -192.13889603 
       -192.17417011 
       -192.15065406 
   
  
  
       3.00    3.09
       7.30    7.42
   
       -192.13934347 
       -192.17462013 
       -192.15110236 
   
  
  
       3.18    3.23
       7.45    7.51
   
       -192.13953309 
       -192.17481004 
       -192.15129207 
   
  
  
       2.68    2.75
       7.32    7.42
   
       -192.14041416 
       -192.17569377 
       -192.15217403 
   
  
  
       2.32    2.41
       6.92    7.01
   
       -192.14055069 
       -192.17583083 
       -192.15231074 
   
  
  
       2.48    2.55
       6.97    7.04
   
       -192.14145175 
       -192.17673010 
       -192.15321120 
   
  
  
       3.13    3.22
       7.18    7.29
   
       -192.14164818 
       -192.17692643 
       -192.15340760 
   
  
  
       3.18    3.26
       6.95    7.03
   
     -15590.13866595 
     -15590.12091214 
     -15590.13274802 
   
  
  
       2.56    2.66
       6.87    6.97
   
     -49560.50378244 
     -49560.53147133 
     -49560.51301207 
   
  
  
       2.49    2.53
       7.01    7.07
   
    -252459.34941106 
    -252459.31539395 
    -252459.33807202 
   
  
  
       2.33    2.39
       6.89    6.96
   
    -251833.09701401 
    -251833.10352723 
    -251833.09918508 
   
  
  
       2.07    2.10
       6.06    6.09
   
    -324203.97829186 
    -324203.99234560 
    -324203.98297644 
   
  
  
       0.96    0.97
       3.47    3.47
   
    **************** 
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