vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 04 13 
  12:23:27 
 
 
  energy of formation SiCO (within H2O) from job 1700
       0
  Normal
  Very Fast (RMM-DIIS)
   F  
       1
       2
       1
     200
       2
       2
        0.00000010
       -0.02000000
     800
       3
       1
      400.00000000
        1.11000000
  Auto
      -5
       1
   F  
   F  
       1
 
 
  
   
    
            0.00000000       2.70931500       2.70931500 
            2.70931500       0.00000000       2.70931500 
            2.70931500       2.70931500       0.00000000 
    
         39.77484538 
    
           -0.18454849       0.18454849       0.18454849 
            0.18454849      -0.18454849       0.18454849 
            0.18454849       0.18454849      -0.18454849 
    
   
   
           0.37500000       0.37500000       0.37500000 
           0.62500000       0.62500000       0.62500000 
   
  
  
           1 
           2 
  
 
 
  
         11       11       11 
         0.00000000       0.00000000       0.00000000 
         0.09090909       0.00000000       0.00000000 
         0.00000000       0.09090909       0.00000000 
         0.00000000       0.00000000       0.09090909 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.09090909       0.00000000       0.00000000 
          0.18181818       0.00000000       0.00000000 
          0.27272727       0.00000000       0.00000000 
          0.36363636       0.00000000       0.00000000 
          0.45454545       0.00000000       0.00000000 
          0.09090909       0.09090909       0.00000000 
          0.18181818       0.09090909       0.00000000 
          0.27272727       0.09090909       0.00000000 
          0.36363636       0.09090909       0.00000000 
          0.45454545       0.09090909       0.00000000 
         -0.45454545       0.09090909       0.00000000 
         -0.36363636       0.09090909       0.00000000 
         -0.27272727       0.09090909       0.00000000 
         -0.18181818       0.09090909       0.00000000 
         -0.09090909       0.09090909       0.00000000 
          0.18181818       0.18181818       0.00000000 
          0.27272727       0.18181818       0.00000000 
          0.36363636       0.18181818       0.00000000 
          0.45454545       0.18181818       0.00000000 
         -0.45454545       0.18181818       0.00000000 
         -0.36363636       0.18181818       0.00000000 
         -0.27272727       0.18181818       0.00000000 
         -0.18181818       0.18181818       0.00000000 
          0.27272727       0.27272727       0.00000000 
          0.36363636       0.27272727       0.00000000 
          0.45454545       0.27272727       0.00000000 
         -0.45454545       0.27272727       0.00000000 
         -0.36363636       0.27272727       0.00000000 
         -0.27272727       0.27272727       0.00000000 
          0.36363636       0.36363636       0.00000000 
          0.45454545       0.36363636       0.00000000 
         -0.45454545       0.36363636       0.00000000 
         -0.36363636       0.36363636       0.00000000 
          0.45454545       0.45454545       0.00000000 
         -0.45454545       0.45454545       0.00000000 
          0.27272727       0.18181818       0.09090909 
          0.36363636       0.18181818       0.09090909 
          0.45454545       0.18181818       0.09090909 
         -0.45454545       0.18181818       0.09090909 
          0.36363636       0.27272727       0.09090909 
          0.45454545       0.27272727       0.09090909 
         -0.45454545       0.27272727       0.09090909 
         -0.36363636       0.27272727       0.09090909 
         -0.27272727       0.27272727       0.09090909 
         -0.18181818       0.27272727       0.09090909 
          0.45454545       0.36363636       0.09090909 
         -0.45454545       0.36363636       0.09090909 
         -0.36363636       0.36363636       0.09090909 
         -0.27272727       0.36363636       0.09090909 
         -0.45454545       0.45454545       0.09090909 
         -0.36363636       0.45454545       0.09090909 
         -0.45454545       0.36363636       0.18181818 
         -0.36363636       0.36363636       0.18181818 
         -0.36363636       0.45454545       0.18181818 
         -0.27272727       0.45454545       0.18181818 
  
  
          0.00075131 
          0.00601052 
          0.00601052 
          0.00601052 
          0.00601052 
          0.00601052 
          0.00450789 
          0.01803156 
          0.01803156 
          0.01803156 
          0.01803156 
          0.01803156 
          0.01803156 
          0.01803156 
          0.01803156 
          0.00901578 
          0.00450789 
          0.01803156 
          0.01803156 
          0.01803156 
          0.01803156 
          0.01803156 
          0.01803156 
          0.00901578 
          0.00450789 
          0.01803156 
          0.01803156 
          0.01803156 
          0.01803156 
          0.00901578 
          0.00450789 
          0.01803156 
          0.01803156 
          0.00901578 
          0.00450789 
          0.00901578 
          0.01803156 
          0.03606311 
          0.03606311 
          0.03606311 
          0.01803156 
          0.03606311 
          0.03606311 
          0.03606311 
          0.03606311 
          0.01803156 
          0.01803156 
          0.03606311 
          0.03606311 
          0.01803156 
          0.01803156 
          0.01803156 
          0.01803156 
          0.03606311 
          0.01803156 
          0.01803156 
  
  
          24        1        2        2        7 
          48        2        7        8       16 
          48        2        3        8       16 
          24        2        2        7       16 
          48        3        8        9       15 
          48        3        4        9       15 
          48        3        8       15       16 
          48        4        9       10       14 
          48        4        5       10       14 
          48        4        9       14       15 
          48        5       10       11       13 
          48        5        6       11       13 
          48        5       10       13       14 
          48        6       11       12       12 
          24        6        6       12       12 
          48        6       11       12       13 
          24        7        8        8       17 
          24        7        8        8       16 
          48        8       17       18       37 
          48        8        9       18       37 
          48        8        9       15       37 
          24        8        8       17       37 
          24        8        8       16       37 
          48        8       15       16       37 
          48        9       18       19       38 
          48        9       10       19       38 
          48        9       10       14       38 
          48        9       18       37       38 
          48        9       15       37       38 
          48        9       14       15       38 
          48       10       19       20       39 
          48       10       11       20       39 
          48       10       11       13       39 
          48       10       19       38       39 
          48       10       14       38       39 
          48       10       13       14       39 
          48       11       20       21       40 
          48       11       12       21       40 
          48       11       12       12       40 
          48       11       20       39       40 
          48       11       13       39       40 
          48       11       12       13       40 
          48       12       21       22       40 
          48       12       13       22       40 
          48       12       21       40       40 
          24       12       12       40       40 
          48       13       22       23       39 
          48       13       14       23       39 
          48       13       22       39       40 
          48       14       23       24       38 
          48       14       15       24       38 
          48       14       23       38       39 
          24       15       15       24       37 
          24       15       15       16       37 
          48       15       24       37       38 
          24       17       18       18       25 
          24       17       18       18       37 
          48       18       25       26       41 
          48       18       19       26       41 
          48       18       19       38       41 
          24       18       18       25       41 
          24       18       18       37       41 
          48       18       37       38       41 
          48       19       26       27       42 
          48       19       20       27       42 
          48       19       20       39       42 
          48       19       26       41       42 
          48       19       38       41       42 
          48       19       38       39       42 
          48       20       27       28       43 
          48       20       21       28       43 
          48       20       21       40       43 
          48       20       27       42       43 
          48       20       39       42       43 
          48       20       39       40       43 
          48       21       28       29       44 
          48       21       22       29       44 
          48       21       22       40       44 
          48       21       28       43       44 
          48       21       40       43       44 
          48       21       40       40       44 
          48       22       29       30       45 
          48       22       23       30       45 
          48       22       23       39       45 
          48       22       29       44       45 
          48       22       40       44       45 
          48       22       39       40       45 
          24       23       23       30       46 
          24       23       23       24       46 
          48       23       24       38       46 
          48       23       30       45       46 
          48       23       39       45       46 
          48       23       38       39       46 
          24       24       38       38       46 
          24       24       37       38       38 
          24       25       26       26       31 
          24       25       26       26       41 
          48       26       31       32       47 
          48       26       27       32       47 
          48       26       27       42       47 
          24       26       26       31       47 
          24       26       26       41       47 
          48       26       41       42       47 
          48       27       32       33       48 
          48       27       28       33       48 
          48       27       28       43       48 
          48       27       32       47       48 
          48       27       42       47       48 
          48       27       42       43       48 
          48       28       33       34       49 
          48       28       29       34       49 
          48       28       29       44       49 
          48       28       33       48       49 
          48       28       43       48       49 
          48       28       43       44       49 
          24       29       29       34       50 
          24       29       29       30       50 
          48       29       30       45       50 
          48       29       34       49       50 
          48       29       44       49       50 
          48       29       44       45       50 
          24       30       45       45       50 
          24       30       45       45       46 
          24       31       32       32       35 
          24       31       32       32       47 
          48       32       35       36       51 
          48       32       33       36       51 
          48       32       33       48       51 
          24       32       32       35       51 
          24       32       32       47       51 
          48       32       47       48       51 
          24       33       33       36       52 
          24       33       33       34       52 
          48       33       34       49       52 
          48       33       36       51       52 
          48       33       48       51       52 
          48       33       48       49       52 
          24       34       49       49       52 
          24       34       49       49       50 
          12       35       35       36       36 
          24       35       36       36       51 
          12       36       36       51       51 
          24       36       51       51       52 
          24       37       38       38       41 
          48       38       41       42       46 
          48       38       39       42       46 
          24       38       38       41       46 
          48       39       42       43       45 
          48       39       40       43       45 
          48       39       42       45       46 
          48       40       43       44       44 
          24       40       40       44       44 
          48       40       43       44       45 
          24       41       42       42       47 
          24       41       42       42       46 
          48       42       47       48       53 
          48       42       43       48       53 
          48       42       43       45       53 
          24       42       42       47       53 
          24       42       42       46       53 
          48       42       45       46       53 
          48       43       48       49       54 
          48       43       44       49       54 
          48       43       44       44       54 
          48       43       48       53       54 
          48       43       45       53       54 
          48       43       44       45       54 
          48       44       49       50       54 
          48       44       45       50       54 
          48       44       49       54       54 
          24       44       44       54       54 
          24       45       45       50       53 
          24       45       45       46       53 
          48       45       50       53       54 
          24       47       48       48       51 
          24       47       48       48       53 
          48       48       51       52       55 
          48       48       49       52       55 
          48       48       49       54       55 
          24       48       48       51       55 
          24       48       48       53       55 
          48       48       53       54       55 
          24       49       49       52       56 
          24       49       49       50       56 
          48       49       50       54       56 
          48       49       52       55       56 
          48       49       54       55       56 
          48       49       54       54       56 
          24       50       54       54       56 
          24       50       53       54       54 
          12       51       51       52       52 
          24       51       52       52       55 
          12       52       52       55       55 
          24       52       55       55       56 
          24       53       54       54       55 
          48       54       55       56       56 
          24       54       54       56       56 
          24       54       54       55       56 
          12       55       55       56       56 
          24       55       56       56       56 
           6       56       56       56       56 
  
        0.00012522 
 
 
  
   energy of formation SiCO (within H2O) fr
    F  
  
  
   normal
       400.00000000
       322.06900000
         0.00000010
       48
       11
        9
       -1
       -1
         8.00000000
        0
        0
        0
        0
         0.00000000
   
        -5
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
       -12
         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
   
  
  
       20
       20
       20
       40
       40
       40
    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
         1.11000000
      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
         0.00000000
         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
        11.93245361
         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
      200
        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  
  
 
 
         2 
         1 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
   
  
 
 
  
   
           0.00000000       2.70931500       2.70931500 
           2.70931500       0.00000000       2.70931500 
           2.70931500       2.70931500       0.00000000 
   
        39.77484538 
   
          -0.18454849       0.18454849       0.18454849 
           0.18454849      -0.18454849       0.18454849 
           0.18454849       0.18454849      -0.18454849 
   
  
  
          0.37500000       0.37500000       0.37500000 
          0.62500000       0.62500000       0.62500000 
  
 
 
  
       0.04    0.04
       0.13    0.17
       0.03    0.03
       0.21    0.25
   
          3.38536887 
       -229.04312351 
        -10.90691424 
        -18.57707932 
        176.24759923 
       -141.06103558 
          0.00000000 
         39.14914977 
        206.13149246 
         25.32545767 
         25.32545767 
         25.32545767 
   
  
  
       0.04    0.04
       0.13    0.16
       0.03    0.03
       0.20    0.23
   
         -2.47928602 
         -2.47928602 
         -2.47928602 
   
  
  
       0.04    0.04
       0.13    0.16
       0.03    0.03
       0.20    0.23
   
         -9.38964341 
         -9.38964341 
         -9.38964341 
   
  
  
       0.04    0.04
       0.13    0.16
       0.03    0.03
       0.20    0.23
   
        -10.68800901 
        -10.68800901 
        -10.68800901 
   
  
  
       0.04    0.04
       0.13    0.16
       0.03    0.03
       0.21    0.23
   
        -10.94469859 
        -10.94469859 
        -10.94469859 
   
  
  
       0.04    0.04
       0.13    0.16
       0.03    0.03
       0.20    0.23
   
        -11.00433063 
        -11.00433063 
        -11.00433063 
   
  
  
       0.04    0.04
       0.13    0.15
       0.03    0.03
       0.20    0.22
   
        -11.01928087 
        -11.01928087 
        -11.01928087 
   
  
  
       0.04    0.04
       0.13    0.16
       0.03    0.03
       0.20    0.23
   
        -11.02312447 
        -11.02312447 
        -11.02312447 
   
  
  
       0.04    0.04
       0.21    0.23
       0.03    0.03
       0.27    0.30
   
        -11.02408613 
        -11.02408613 
        -11.02408613 
   
  
  
       0.04    0.04
       0.20    0.22
       0.03    0.03
       0.27    0.28
   
        -11.02444951 
        -11.02444951 
        -11.02444951 
   
  
  
       0.04    0.04
       0.20    0.28
       0.03    0.03
       0.27    0.35
   
        -11.02450569 
        -11.02450569 
        -11.02450569 
   
  
  
       0.04    0.04
       0.20    0.21
       0.03    0.03
       0.27    0.29
   
        -11.02452678 
        -11.02452678 
        -11.02452678 
   
  
  
       0.04    0.04
       0.22    0.23
       0.03    0.03
       0.30    0.32
   
        -10.89686155 
        -10.89686155 
        -10.89686155 
   
  
  
       0.04    0.04
       0.26    0.27
       0.03    0.03
       0.34    0.35
   
        -10.83914263 
        -10.83914263 
        -10.83914263 
   
  
  
       0.04    0.04
       0.20    0.23
       0.03    0.03
       0.28    0.31
   
        -10.84033322 
        -10.84033322 
        -10.84033322 
   
  
  
       0.04    0.04
       0.20    0.22
       0.03    0.03
       0.28    0.30
   
        -10.84048481 
        -10.84048481 
        -10.84048481 
   
  
  
       0.04    0.04
       0.20    0.23
       0.03    0.03
       0.28    0.31
   
        -10.84053078 
        -10.84053078 
        -10.84053078 
   
  
  
       0.04    0.04