vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 11 15 
  20:25:26 
 
 
  NH2 away from Co-O-Co 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      0.75000000      0.32000000
  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 
           0.37140056       0.39002288       0.69001095 
           0.37140056       0.72335621       0.69001095 
           0.37140056       0.05668954       0.69001095 
           0.70473389       0.39002288       0.69001095 
           0.70473389       0.72335621       0.69001095 
           0.70473389       0.05668954       0.69001095 
           0.03806722       0.39002288       0.69001095 
           0.03806722       0.72335621       0.69001095 
           0.03806722       0.05668954       0.69001095 
           0.55671761       0.63756627       0.97140981 
           0.41071491       0.65110174       0.97140981 
           0.61799690       0.77077605       0.97140981 
   
  
  
           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 
  
 
 
  
          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-O-Co surface bulk Co
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       11
      328
       -1
       -1
       547.00000000
        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
     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      0.75000000      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        58.93300000     16.00000000     14.00100000      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
        11.14892727
         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  
  
 
 
        66 
         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
    N    3
    H    4
    H    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                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           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 
          0.37140056       0.39002288       0.69001095 
          0.37140056       0.72335621       0.69001095 
          0.37140056       0.05668954       0.69001095 
          0.70473389       0.39002288       0.69001095 
          0.70473389       0.72335621       0.69001095 
          0.70473389       0.05668954       0.69001095 
          0.03806722       0.39002288       0.69001095 
          0.03806722       0.72335621       0.69001095 
          0.03806722       0.05668954       0.69001095 
          0.55671761       0.63756627       0.97140981 
          0.41071491       0.65110174       0.97140981 
          0.61799690       0.77077605       0.97140981 
  
  
     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 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       3.05    3.08
       3.21    3.24
   
       1238.31247093 
     189440.35446085 
    -237543.49069889 
       1171.55429032 
      42262.75517835 
     -45143.76967899 
         -0.00990984 
       5212.65849440 
      48101.11867349 
       4739.48328061 
       4739.49319046 
       4739.48658390 
   
  
  
       2.95    2.98
       2.95    2.99
   
        297.03204139 
        297.01637047 
        297.02681775 
   
  
  
       3.38    3.41
       3.38    3.41
   
       -332.82012848 
       -332.79452084 
       -332.81159260 
   
  
  
       4.49    4.52
       4.49    4.52
   
       -484.41979455 
       -484.41819665 
       -484.41926192 
   
  
  
       4.12    4.15
       4.22    4.26
   
       -513.01260178 
       -512.99709231 
       -513.00743196 
   
  
  
       4.40    4.43
       4.64    4.68
   
       -904.76517282 
       -904.83579243 
       -904.78871269 
   
  
  
       3.91    3.95
       4.15    4.19
   
       -633.12745741 
       -632.93066119 
       -633.06185867 
   
  
  
       4.56    4.59
       4.80    4.84
   
       -783.38479751 
       -783.37688165 
       -783.38215889 
   
  
  
       4.27    4.30
       4.51    4.55
   
       -574.28310746 
       -574.29581295 
       -574.28734262 
   
  
  
       4.04    4.07
       4.28    4.32
   
       -500.61902077 
       -500.71300129 
       -500.65034761 
   
  
  
       4.60    4.63
       4.84    4.88
   
       -527.64217994 
       -527.71432959 
       -527.66622982 
   
  
  
       4.64    4.67
       4.88    4.92
   
       -563.24435864 
       -563.15714325 
       -563.21528685 
   
  
  
       4.11    4.15
       4.36    4.39
   
       -438.42525800 
       -438.35427508 
       -438.40159703 
   
  
  
       4.36    4.40
       4.60    4.64
   
       -423.08387014 
       -423.17619775 
       -423.11464601 
   
  
  
       4.49    4.53
       4.73    4.77
   
       -419.01772986 
       -419.10231020 
       -419.04592331 
   
  
  
       4.19    4.23
       4.43    4.47
   
       -414.02129559 
       -414.11404188 
       -414.05221102 
   
  
  
       3.94    3.97
       4.18    4.22
   
       -412.93407054 
       -413.00232761 
       -412.95682289 
   
  
  
       4.20    4.23
       4.44    4.48
   
       -412.92371404 
       -412.97785128 
       -412.94175979 
   
  
  
       4.34    4.37
       4.58    4.62
   
       -412.84116730 
       -412.93344182 
       -412.87192548 
   
  
  
       4.54    4.58
       4.79    4.83
   
       -413.79045140 
       -413.87786971 
       -413.81959083 
   
  
  
       4.54    4.57
       4.79    4.82
   
       -413.44245290 
       -413.55995228 
       -413.48161936 
   
  
  
       4.42    4.46
       4.67    4.71
   
       -413.00355917 
       -413.08563707 
       -413.03091847