vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 01:26:52) complex                          parallel 
  Lin64 
  2021 03 18 
  22:13:47 
 
 
   (SiO2)81  LSDA+U 3x3x3 (U-J 7.9eV)
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
       2
        0.00001000
       -0.02000000
     100
       3
       1
      400.00000000
        1.11000000      0.73000000
   F  
       1
        0.20000000
       1
       2
   F  
   F  
      28
   Normal (blocked Davidson)
      60
       1
   T  
       2
       1    -1
        7.90000000      0.00000000
        0.00000000      0.00000000
        0.00001000
       1
 
 
  
   
           4.81044043       0.00000000       0.00000000 
          -2.40522022       4.16596362       0.00000000 
           0.00000000       0.00000000       5.34582421 
   
       107.13095781 
   
           0.20788117       0.12002025       0.00000000 
           0.00000000       0.24004050       0.00000000 
           0.00000000       0.00000000       0.18706189 
   
  
  
          0.45802725       0.00000000       0.33333333 
          0.54197278       0.54197278       0.00000000 
          0.00000000       0.45802725       0.66666667 
          0.40490727       0.28651665       0.22983963 
          0.71348335       0.11839062       0.56317297 
          0.28651665       0.40490727       0.77016040 
          0.11839062       0.71348338       0.43682706 
          0.59509273       0.88160941       0.10349370 
          0.88160941       0.59509276       0.89650633 
  
 
 
          1 
         21 
         29 
         82 
         83 
         86 
        121 
        123 
        240 
 
 
  
          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 
  
  
          0.25000000 
          0.75000000 
  
 
 
  
   (SiO2)81  LSDA+U 3x3x3 (U-J 7.9eV)
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       11
      784
       -1
       -1
      1296.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     F  
          0.00000000      0.00000000
      -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      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      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      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  
           0.00100000
           0.00000000
           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
   
  
  
       72
       72
       80
      144
      144
      160
    F  
  
  
      100
        2
        0
        3
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      100
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         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
  
  
       28
        4
       -1
    T  
    T  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000
         0.00000000      0.00000000
         1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   T  
       2
       1
        7.90000000
        0.00000000
       0
       0
  
   --
        1
    F  
   
    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
         7.14206407
         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
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       243 
         2 
  
   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
    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
    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
    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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      81Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
     162O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
          14.43132144       0.00000000       0.00000000 
          -7.21566072      12.49789098       0.00000000 
           0.00000000       0.00000000      16.03747280 
   
      2892.53594763 
   
           0.06929372       0.04000675       0.00000000 
           0.00000000       0.08001350       0.00000000 
           0.00000000       0.00000000       0.06235396 
   
  
  
          0.15267575       0.00000000       0.11111111 
          0.00000000       0.15267575       0.22222222 
          0.18065759       0.18065759       0.00000000 
          0.15267575       0.00000000       0.44444444 
          0.00000000       0.15267575       0.55555556 
          0.18065759       0.18065759       0.33333333 
          0.15267575       0.00000000       0.77777778 
          0.00000000       0.15267575       0.88888889 
          0.18065759       0.18065759       0.66666667 
          0.15267575       0.33333333       0.11111111 
          0.00000000       0.48600908       0.22222222 
          0.18065759       0.51399092       0.00000000 
          0.15267575       0.33333333       0.44444444 
          0.00000000       0.48600908       0.55555556 
          0.18065759       0.51399092       0.33333333 
          0.15267575       0.33333333       0.77777778 
          0.00000000       0.48600908       0.88888889 
          0.18065759       0.51399092       0.66666667 
          0.15267575       0.66666667       0.11111111 
          0.00000000       0.81934241       0.22222222 
          0.18065759       0.84732425       0.00000000 
          0.15267575       0.66666667       0.44444444 
          0.00000000       0.81934241       0.55555556 
          0.18065759       0.84732425       0.33333333 
          0.15267575       0.66666667       0.77777778 
          0.00000000       0.81934241       0.88888889 
          0.18065759       0.84732425       0.66666667 
          0.48600908       0.00000000       0.11111111 
          0.33333333       0.15267575       0.22222222 
          0.51399092       0.18065759       0.00000000 
          0.48600908       0.00000000       0.44444444 
          0.33333333       0.15267575       0.55555556 
          0.51399092       0.18065759       0.33333333 
          0.48600908       0.00000000       0.77777778 
          0.33333333       0.15267575       0.88888889 
          0.51399092       0.18065759       0.66666667 
          0.48600908       0.33333333       0.11111111 
          0.33333333       0.48600908       0.22222222 
          0.51399092       0.51399092       0.00000000 
          0.48600908       0.33333333       0.44444444 
          0.33333333       0.48600908       0.55555556 
          0.51399092       0.51399092       0.33333333 
          0.48600908       0.33333333       0.77777778 
          0.33333333       0.48600908       0.88888889 
          0.51399092       0.51399092       0.66666667 
          0.48600908       0.66666667       0.11111111 
          0.33333333       0.81934241       0.22222222 
          0.51399092       0.84732425       0.00000000 
          0.48600908       0.66666667       0.44444444 
          0.33333333       0.81934241       0.55555556 
          0.51399092       0.84732425       0.33333333 
          0.48600908       0.66666667       0.77777778 
          0.33333333       0.81934241       0.88888889 
          0.51399092       0.84732425       0.66666667 
          0.81934241       0.00000000       0.11111111 
          0.66666667       0.15267575       0.22222222 
          0.84732425       0.18065759       0.00000000 
          0.81934241       0.00000000       0.44444444 
          0.66666667       0.15267575       0.55555556 
          0.84732425       0.18065759       0.33333333 
          0.81934241       0.00000000       0.77777778 
          0.66666667       0.15267575       0.88888889 
          0.84732425       0.18065759       0.66666667 
          0.81934241       0.33333333       0.11111111 
          0.66666667       0.48600908       0.22222222 
          0.84732425       0.51399092       0.00000000 
          0.81934241       0.33333333       0.44444444 
          0.66666667       0.48600908       0.55555556 
          0.84732425       0.51399092       0.33333333 
          0.81934241       0.33333333       0.77777778 
          0.66666667       0.48600908       0.88888889 
          0.84732425       0.51399092       0.66666667 
          0.81934241       0.66666667       0.11111111 
          0.66666667       0.81934241       0.22222222 
          0.84732425       0.84732425       0.00000000 
          0.81934241       0.66666667       0.44444444 
          0.66666667       0.81934241       0.55555556 
          0.84732425       0.84732425       0.33333333 
          0.81934241       0.66666667       0.77777778 
          0.66666667       0.81934241       0.88888889 
          0.84732425       0.84732425       0.66666667 
          0.13496909       0.09550555       0.07661321 
          0.23782778       0.03946354       0.18772432 
          0.29386979       0.19836424       0.29883543 
          0.03946354       0.23782778       0.14560902 
          0.09550555       0.13496909       0.25672013 
          0.19836424       0.29386979       0.03449790 
          0.13496909       0.09550555       0.40994654 
          0.23782778       0.03946354       0.52105765 
          0.29386979       0.19836424       0.63216876 
          0.03946354       0.23782778       0.47894235 
          0.09550555       0.13496909       0.59005346 
          0.19836424       0.29386979       0.36783124 
          0.13496909       0.09550555       0.74327987 
          0.23782778       0.03946354       0.85439098 
          0.29386979       0.19836424       0.96550210 
          0.03946354       0.23782778       0.81227568 
          0.09550555       0.13496909       0.92338679 
          0.19836424       0.29386979       0.70116457 
          0.13496909       0.42883888       0.07661321 
          0.23782778       0.37279688       0.18772432 
          0.29386979       0.53169757       0.29883543 
          0.03946354       0.57116112       0.14560902 
          0.09550555       0.46830243       0.25672013 
          0.19836424       0.62720312       0.03449790 
          0.13496909       0.42883888       0.40994654 
          0.23782778       0.37279688       0.52105765 
          0.29386979       0.53169757       0.63216876 
          0.03946354       0.57116112       0.47894235 
          0.09550555       0.46830243       0.59005346 
          0.19836424       0.62720312       0.36783124 
          0.13496909       0.42883888       0.74327987 
          0.23782778       0.37279688       0.85439098 
          0.29386979       0.53169757       0.96550210 
          0.03946354       0.57116112       0.81227568 
          0.09550555       0.46830243       0.92338679 
          0.19836424       0.62720312       0.70116457 
          0.13496909       0.76217222       0.07661321 
          0.23782778       0.70613021       0.18772432 
          0.29386979       0.86503091       0.29883543 
          0.03946354       0.90449445       0.14560902 
          0.09550555       0.80163576       0.25672013 
          0.19836424       0.96053646       0.03449790 
          0.13496909       0.76217222       0.40994654 
          0.23782778       0.70613021       0.52105765 
          0.29386979       0.86503091       0.63216876 
          0.03946354       0.90449445       0.47894235 
          0.09550555       0.80163576       0.59005346 
          0.19836424       0.96053646       0.36783124 
          0.13496909       0.76217222       0.74327987 
          0.23782778       0.70613021       0.85439098 
          0.29386979       0.86503091       0.96550210 
          0.03946354       0.90449445       0.81227568 
          0.09550555       0.80163576       0.92338679 
          0.19836424       0.96053646       0.70116457 
          0.46830243       0.09550555       0.07661321 
          0.57116112       0.03946354       0.18772432 
          0.62720312       0.19836424       0.29883543 
          0.37279688       0.23782778       0.14560902 
          0.42883888       0.13496909       0.25672013 
          0.53169757       0.29386979       0.03449790 
          0.46830243       0.09550555       0.40994654 
          0.57116112       0.03946354       0.52105765 
          0.62720312       0.19836424       0.63216876 
          0.37279688       0.23782778       0.47894235 
          0.42883888       0.13496909       0.59005346 
          0.53169757       0.29386979       0.36783124 
          0.46830243       0.09550555       0.74327987 
          0.57116112       0.03946354       0.85439098 
          0.62720312       0.19836424       0.96550210 
          0.37279688       0.23782778       0.81227568 
          0.42883888       0.13496909       0.92338679 
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          0.80163576       0.42883888       0.74327987 
          0.90449445       0.37279688       0.85439098 
          0.96053646       0.53169757       0.96550210 
          0.70613021       0.57116112       0.81227568 
          0.76217222       0.46830243       0.92338679 
          0.86503091       0.62720312       0.70116457 
          0.80163576       0.76217222       0.07661321 
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          0.96053646       0.86503091       0.29883543 
          0.70613021       0.90449445       0.14560902 
          0.76217222       0.80163576       0.25672013 
          0.86503091       0.96053646       0.03449790 
          0.80163576       0.76217222       0.40994654 
          0.90449445       0.70613021       0.52105765 
          0.96053646       0.86503091       0.63216876 
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          0.70613021       0.90449445       0.81227568 
          0.76217222       0.80163576       0.92338679 
          0.86503091       0.96053646       0.70116457 
  
 
 
  
   
   
   
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