vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 11 15 
  20:27:55 
 
 
  NH2 away from Co-OH surface bulk Co
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     180
       2
       2
        0.00001000
       -0.02000000
     800
       3
       1
      400.00000000
        1.16000000      0.73000000      0.32000000      0.75000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.30212000       0.00000000       0.00000000 
            0.00000000       7.30212000       0.00000000 
            0.00000000       0.00000000      23.00000000 
    
       1226.38199937 
    
            0.13694653       0.00000000       0.00000000 
            0.00000000       0.13694653       0.00000000 
            0.00000000       0.00000000       0.04347826 
    
   
   
           0.08333333       0.08333333       0.25480707 
           0.25000000       0.25000000       0.62896467 
           0.08333333       0.08333333       0.40447011 
           0.25000000       0.25000000       0.47930163 
           0.08333333       0.08333333       0.55413315 
           0.25000000       0.25000000       0.32963859 
           0.08333333       0.41666667       0.25480707 
           0.25000000       0.58333333       0.62896467 
           0.08333333       0.41666667       0.40447011 
           0.25000000       0.58333333       0.47930163 
           0.08333333       0.41666667       0.55413315 
           0.25000000       0.58333333       0.32963859 
           0.08333333       0.75000000       0.25480707 
           0.25000000       0.91666667       0.62896467 
           0.08333333       0.75000000       0.40447011 
           0.25000000       0.91666667       0.47930163 
           0.08333333       0.75000000       0.55413315 
           0.25000000       0.91666667       0.32963859 
           0.41666667       0.08333333       0.25480707 
           0.58333333       0.25000000       0.62896467 
           0.41666667       0.08333333       0.40447011 
           0.58333333       0.25000000       0.47930163 
           0.41666667       0.08333333       0.55413315 
           0.58333333       0.25000000       0.32963859 
           0.41666667       0.41666667       0.25480707 
           0.58333333       0.58333333       0.62896467 
           0.41666667       0.41666667       0.40447011 
           0.58333333       0.58333333       0.47930163 
           0.41666667       0.41666667       0.55413315 
           0.58333333       0.58333333       0.32963859 
           0.41666667       0.75000000       0.25480707 
           0.58333333       0.91666667       0.62896467 
           0.41666667       0.75000000       0.40447011 
           0.58333333       0.91666667       0.47930163 
           0.41666667       0.75000000       0.55413315 
           0.58333333       0.91666667       0.32963859 
           0.75000000       0.08333333       0.25480707 
           0.91666667       0.25000000       0.62896467 
           0.75000000       0.08333333       0.40447011 
           0.91666667       0.25000000       0.47930163 
           0.75000000       0.08333333       0.55413315 
           0.91666667       0.25000000       0.32963859 
           0.75000000       0.41666667       0.25480707 
           0.91666667       0.58333333       0.62896467 
           0.75000000       0.41666667       0.40447011 
           0.91666667       0.58333333       0.47930163 
           0.75000000       0.41666667       0.55413315 
           0.91666667       0.58333333       0.32963859 
           0.75000000       0.75000000       0.25480707 
           0.91666667       0.91666667       0.62896467 
           0.75000000       0.75000000       0.40447011 
           0.91666667       0.91666667       0.47930163 
           0.75000000       0.75000000       0.55413315 
           0.91666667       0.91666667       0.32963859 
           0.25000000       0.25000000       0.71113859 
           0.25000000       0.58333333       0.71113859 
           0.25000000       0.91666667       0.71113859 
           0.58333333       0.25000000       0.71113859 
           0.58333333       0.58333333       0.71113859 
           0.58333333       0.91666667       0.71113859 
           0.91666667       0.25000000       0.71113859 
           0.91666667       0.58333333       0.71113859 
           0.91666667       0.91666667       0.71113859 
           0.33460774       0.15945681       0.72507287 
           0.33460774       0.49279015       0.72507287 
           0.35622649       0.85285076       0.72507287 
           0.68102707       0.17376043       0.72507287 
           0.68405503       0.51114138       0.72507287 
           0.69360843       0.86013401       0.72507287 
           0.01651133       0.17659986       0.72507287 
           0.00591631       0.49736218       0.72507287 
           0.00310423       0.82786866       0.72507287 
           0.33859172       0.68856552       0.96590961 
           0.54587371       0.80823983       0.96590961 
           0.48459442       0.67503005       0.96590961 
   
  
  
           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 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
          57 
          58 
          59 
          60 
          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   NH2 away from Co-OH surface bulk Co
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       11
      336
       -1
       -1
       556.00000000
        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      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  
   
   
       180
        -5
         2
        400.00000000
    
      T  
      F  
           0.00100000
           0.00000001
           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
   
  
  
       36
       36
      120
       72
       72
      240
    F  
  
  
      800
        2
        0
        3
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      800
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.16000000      0.73000000      0.32000000      0.75000000
      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  
        58.93300000     16.00000000      1.00000000     14.00100000
         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
         9.81105599
         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
      180
        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  
  
 
 
        75 
         4 
  
   ion
   element
   atomtype
   
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    Co   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    N    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      54Co     58.93300000      9.00000000  PAW_PBE Co 02Aug2007                  
       9O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      11H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           7.30212000       0.00000000       0.00000000 
           0.00000000       7.30212000       0.00000000 
           0.00000000       0.00000000      23.00000000 
   
      1226.38199937 
   
           0.13694653       0.00000000       0.00000000 
           0.00000000       0.13694653       0.00000000 
           0.00000000       0.00000000       0.04347826 
   
  
  
          0.08333333       0.08333333       0.25480707 
          0.25000000       0.25000000       0.62896467 
          0.08333333       0.08333333       0.40447011 
          0.25000000       0.25000000       0.47930163 
          0.08333333       0.08333333       0.55413315 
          0.25000000       0.25000000       0.32963859 
          0.08333333       0.41666667       0.25480707 
          0.25000000       0.58333333       0.62896467 
          0.08333333       0.41666667       0.40447011 
          0.25000000       0.58333333       0.47930163 
          0.08333333       0.41666667       0.55413315 
          0.25000000       0.58333333       0.32963859 
          0.08333333       0.75000000       0.25480707 
          0.25000000       0.91666667       0.62896467 
          0.08333333       0.75000000       0.40447011 
          0.25000000       0.91666667       0.47930163 
          0.08333333       0.75000000       0.55413315 
          0.25000000       0.91666667       0.32963859 
          0.41666667       0.08333333       0.25480707 
          0.58333333       0.25000000       0.62896467 
          0.41666667       0.08333333       0.40447011 
          0.58333333       0.25000000       0.47930163 
          0.41666667       0.08333333       0.55413315 
          0.58333333       0.25000000       0.32963859 
          0.41666667       0.41666667       0.25480707 
          0.58333333       0.58333333       0.62896467 
          0.41666667       0.41666667       0.40447011 
          0.58333333       0.58333333       0.47930163 
          0.41666667       0.41666667       0.55413315 
          0.58333333       0.58333333       0.32963859 
          0.41666667       0.75000000       0.25480707 
          0.58333333       0.91666667       0.62896467 
          0.41666667       0.75000000       0.40447011 
          0.58333333       0.91666667       0.47930163 
          0.41666667       0.75000000       0.55413315 
          0.58333333       0.91666667       0.32963859 
          0.75000000       0.08333333       0.25480707 
          0.91666667       0.25000000       0.62896467 
          0.75000000       0.08333333       0.40447011 
          0.91666667       0.25000000       0.47930163 
          0.75000000       0.08333333       0.55413315 
          0.91666667       0.25000000       0.32963859 
          0.75000000       0.41666667       0.25480707 
          0.91666667       0.58333333       0.62896467 
          0.75000000       0.41666667       0.40447011 
          0.91666667       0.58333333       0.47930163 
          0.75000000       0.41666667       0.55413315 
          0.91666667       0.58333333       0.32963859 
          0.75000000       0.75000000       0.25480707 
          0.91666667       0.91666667       0.62896467 
          0.75000000       0.75000000       0.40447011 
          0.91666667       0.91666667       0.47930163 
          0.75000000       0.75000000       0.55413315 
          0.91666667       0.91666667       0.32963859 
          0.25000000       0.25000000       0.71113859 
          0.25000000       0.58333333       0.71113859 
          0.25000000       0.91666667       0.71113859 
          0.58333333       0.25000000       0.71113859 
          0.58333333       0.58333333       0.71113859 
          0.58333333       0.91666667       0.71113859 
          0.91666667       0.25000000       0.71113859 
          0.91666667       0.58333333       0.71113859 
          0.91666667       0.91666667       0.71113859 
          0.33460774       0.15945681       0.72507287 
          0.33460774       0.49279015       0.72507287 
          0.35622649       0.85285076       0.72507287 
          0.68102707       0.17376043       0.72507287 
          0.68405503       0.51114138       0.72507287 
          0.69360843       0.86013401       0.72507287 
          0.01651133       0.17659986       0.72507287 
          0.00591631       0.49736218       0.72507287 
          0.00310423       0.82786866       0.72507287 
          0.33859172       0.68856552       0.96590961 
          0.54587371       0.80823983       0.96590961 
          0.48459442       0.67503005       0.96590961 
  
  
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       5.68    5.71
       5.84    5.87
   
       1268.62718055 
     178940.32867730 
    -227225.72639654 
       1198.91007812 
      42281.96142527 
     -45163.05582597 
          0.01301420 
       5360.45689359 
      48213.42636748 
       4874.94141400 
       4874.92839980 
       4874.93707594 
   
  
  
       5.69    5.72
       5.69    5.72
   
        346.06891712 
        346.09104254 
        346.07629226 
   
  
  
       6.65    6.68
       6.65    6.68
   
       -356.15577101 
       -356.15124064 
       -356.15426089 
   
  
  
       8.17    8.20
       8.17    8.20
   
       -520.00089445 
       -520.05499339 
       -520.01892743 
   
  
  
       7.69    7.71
       7.90    7.93
   
       -551.46607497 
       -551.42216588 
       -551.45143861 
   
  
  
       7.71    7.73
       8.07    8.10
   
       -838.43155232 
       -838.44249506 
       -838.43519990 
   
  
  
       7.56    7.59
       7.93    7.95
   
       -611.37375770 
       -611.12166541 
       -611.28972694 
   
  
  
       8.11    8.14
       8.48    8.51
   
       -532.33202502 
       -532.23124242 
       -532.29843082 
   
  
  
       7.94    7.97
       8.31    8.34
   
       -928.90900862 
       -928.68297299 
       -928.83366341 
   
  
  
       7.82    7.85
       8.19    8.22
   
       -518.57078216 
       -518.74950892 
       -518.63035775 
   
  
  
       8.82    8.85
       9.19    9.22
   
       -540.16569333 
       -540.07765128 
       -540.13634598 
   
  
  
       7.94    7.97
       8.31    8.34
   
       -517.58175616 
       -517.67163868 
       -517.61171700 
   
  
  
       7.66    7.68
       8.02    8.05
   
       -470.13554046 
       -470.29567064 
       -470.18891718 
   
  
  
       7.85    7.88
       8.21    8.24
   
       -466.22149157 
       -466.25863614 
       -466.23387309 
   
  
  
       8.06    8.08
       8.42    8.45
   
       -461.61101771 
       -461.70194443 
       -461.64132661 
   
  
  
       7.63    7.65
       7.99    8.02
   
       -457.55150370 
       -457.54271091 
       -457.54857277 
   
  
  
       7.21    7.24
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       3.98    4.01
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       4.22    4.24
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       3.98    4.01
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            7.30212000       0.00000000       0.00000000 
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       1226.38199937 
    
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         13.10856381     -10.01713073       4.93264022 
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          4.93264023      -3.72913074     -68.81787688 
  
  
      -454.47501659 
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      -454.45210921 
  
    446.81  448.52
 
 
  
       5.63    5.66
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       8.13    8.15
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       -741.09185559 
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       8.18    8.20
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       -538.94768687 
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