vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 09 
  16:13:38 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000       5.41863000 
    
       1051.63255568 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
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           0.50335805       0.71738329       0.19093814 
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           0.00917848       0.80656811       0.71188720 
           0.94904991       0.74272420       0.55109320 
           0.83898039       0.19228088       0.14522800 
           0.42874249       0.22169094       0.16486283 
           0.78987749       0.86660642       0.43918294 
           0.80133773       0.84720988       0.88996315 
           0.70233165       0.43974010       0.84376001 
           0.96200816       0.21836499       0.80946572 
           0.58083419       0.06856639       0.65141714 
           0.97387813       0.21146964       0.75771053 
           0.35843254       0.61244301       0.82645607 
           0.86696480       0.34691254       0.96424405 
           0.15296494       0.42196125       0.22135624 
           0.90805627       0.00985764       0.72512633 
           0.24806263       0.79255325       0.37018411 
           0.82859156       0.55445182       0.42670927 
           0.06676020       0.32423502       0.51660669 
           0.05587368       0.59658278       0.54527011 
           0.87346533       0.60230063       0.20165784 
           0.32100169       0.26467763       0.09445907 
           0.55671946       0.17754758       0.89533461 
           0.87094706       0.10683342       0.30331702 
           0.31874906       0.92738554       0.55570616 
           0.73548795       0.13599955       0.31704443 
           0.79174571       0.72305750       0.11246829 
           0.92825750       0.60448764       0.92447193 
           0.43314991       0.35549979       0.45362876 
           0.94412938       0.21162768       0.27475191 
           0.20588086       0.19619926       0.63692628 
           0.47102783       0.39506152       0.19305360 
           0.93421175       0.46299651       0.29812986 
           0.16804324       0.66193894       0.26354971 
           0.88467289       0.50027885       0.11179231 
           0.37186236       0.56728646       0.96503499 
           0.09349932       0.11906597       0.99381970 
           0.85193778       0.63730393       0.19268942 
           0.64241796       0.68359157       0.20511434 
           0.70325313       0.39382261       0.68702157 
   
  
  
           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 
  
 
 
  
          2        1        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.33333333 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.33333333 
          0.50000000       0.00000000       0.33333333 
  
  
          0.16666667 
          0.16666667 
          0.33333333 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      108
       -1
       -1
       168.00000000
        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
   
   
         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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000002
           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
   
  
  
       40
      126
       28
       80
      252
       56
    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
         1.11000000      0.73000000      0.77000000      0.32000000      0.72000000
      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  
        28.08500000     16.00000000     12.01100000      1.00000000     18.99800000
         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
        14.34044394
         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  
  
 
 
        44 
         5 
  
   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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      25Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       9H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000       5.41863000 
   
      1051.63255568 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.18454849 
   
  
  
          0.50335805       0.71738329       0.19093814 
          0.49105113       0.44085254       0.43432951 
          0.99529548       0.56645157       0.15085333 
          0.71221652       0.14651497       0.02990923 
          0.14968267       0.96674749       0.94451440 
          0.50717774       0.76830500       0.65359528 
          0.00917848       0.80656811       0.71188720 
          0.94904991       0.74272420       0.55109320 
          0.83898039       0.19228088       0.14522800 
          0.42874249       0.22169094       0.16486283 
          0.78987749       0.86660642       0.43918294 
          0.80133773       0.84720988       0.88996315 
          0.70233165       0.43974010       0.84376001 
          0.96200816       0.21836499       0.80946572 
          0.58083419       0.06856639       0.65141714 
          0.97387813       0.21146964       0.75771053 
          0.35843254       0.61244301       0.82645607 
          0.86696480       0.34691254       0.96424405 
          0.15296494       0.42196125       0.22135624 
          0.90805627       0.00985764       0.72512633 
          0.24806263       0.79255325       0.37018411 
          0.82859156       0.55445182       0.42670927 
          0.06676020       0.32423502       0.51660669 
          0.05587368       0.59658278       0.54527011 
          0.87346533       0.60230063       0.20165784 
          0.32100169       0.26467763       0.09445907 
          0.55671946       0.17754758       0.89533461 
          0.87094706       0.10683342       0.30331702 
          0.31874906       0.92738554       0.55570616 
          0.73548795       0.13599955       0.31704443 
          0.79174571       0.72305750       0.11246829 
          0.92825750       0.60448764       0.92447193 
          0.43314991       0.35549979       0.45362876 
          0.94412938       0.21162768       0.27475191 
          0.20588086       0.19619926       0.63692628 
          0.47102783       0.39506152       0.19305360 
          0.93421175       0.46299651       0.29812986 
          0.16804324       0.66193894       0.26354971 
          0.88467289       0.50027885       0.11179231 
          0.37186236       0.56728646       0.96503499 
          0.09349932       0.11906597       0.99381970 
          0.85193778       0.63730393       0.19268942 
          0.64241796       0.68359157       0.20511434 
          0.70325313       0.39382261       0.68702157 
  
 
 
  
       6.83    6.91
       6.97    7.05
   
         74.00007382 
      -1408.63599070 
      -4532.57536273 
         41.80712668 
       5642.42690935 
      -5222.73511433 
         -0.02141168 
       -148.87507315 
       6953.63384995 
       1399.02500721 
       1399.04641889 
       1399.03214444 
   
  
  
       8.70    8.70
       8.70    8.70
   
        462.32999290 
        462.34556381 
        462.33518320 
   
  
  
       9.30    9.30
       9.30    9.30
   
        285.21456751 
        285.21981837 
        285.21631780 
   
  
  
       9.23    9.24
       9.24    9.24
   
        272.35326532 
        272.34864859 
        272.35172641 
   
  
  
       8.57    8.57
       8.60    8.60
   
        271.68386469 
        271.67149914 
        271.67974284 
   
  
  
      10.51   10.52
      10.67   10.67
   
        135.06192035 
        135.06072320 
        135.06152130 
   
  
  
      11.30   11.30
      11.47   11.47
   
       -594.71135801 
       -594.70654693 
       -594.70975431 
   
  
  
       9.40    9.40
       9.56    9.56
   
        357.80286494 
        357.82320453 
        357.80964480 
   
  
  
       8.55    8.56
       8.71    8.72
   
        291.72353495 
        291.74922000 
        291.73209663 
   
  
  
       8.88    8.88
       9.03    9.03
   
        266.54835589 
        266.52049649 
        266.53906943 
   
  
  
       8.58    8.58
       8.73    8.73
   
        264.12524927 
        264.07873649 
        264.10974501 
   
  
  
       8.85    8.86
       9.00    9.00
   
        266.87108377 
        266.83885001 
        266.86033918 
   
  
  
       8.87    8.87
       9.02    9.02
   
        268.38501766 
        268.33940106 
        268.36981213 
   
  
  
       9.00    9.01
       9.15    9.16
   
        242.77658169 
        242.78225764 
        242.77847368 
   
  
  
      10.11   10.11
      10.29   10.30
   
        283.99236579 
        284.03282052 
        284.00585070 
   
  
  
       8.42    8.43
       8.57    8.59
   
        276.73887359 
        276.74215000 
        276.73996573 
   
  
  
       8.05    8.06
       8.20    8.21
   
        186.36435824 
        186.34137031 
        186.35669559 
   
  
  
       7.39    7.40
       7.55    7.55
   
        169.02543676 
        168.98149372 
        169.01078908 
   
  
  
       8.77    8.78
       8.92    8.93
   
        130.22930262 
        130.27497781 
        130.24452769 
   
  
  
       8.47    8.47
       8.62    8.62
   
         20.21086825 
         20.19252949 
         20.20475533 
   
  
  
       7.74    7.75
       7.89    7.90
   
        -52.84466546 
        -52.82890830 
        -52.83941307 
   
  
  
       8.47    8.48
       8.63    8.63
   
      -1030.21941925 
      -1030.26445734 
      -1030.23443195 
   
  
  
       8.42    8.43
       8.57    8.57
   
      -1383.17770911 
      -1383.16595252 
      -1383.17379024 
   
  
  
       9.70    9.71
       9.85    9.86
   
      -1373.56325283 
      -1373.55722413 
      -1373.56124326 
   
  
  
       8.38    8.38
       8.53    8.53
   
       -938.42597721 
       -938.42335753 
       -938.42510398 
   
  
  
       8.36    8.36
       8.51    8.51
   
       -935.16338642 
       -935.13895251 
       -935.15524178 
   
  
  
       9.12    9.13
       9.27    9.27
   
       -921.76037660 
       -921.75610777 
       -921.75895365 
   
  
  
       6.82    6.83
       6.97    6.99
   
       -930.22671808 
       -930.20587765 
       -930.21977127 
   
  
  
       6.56    6.57
       6.71    6.72
   
       -764.98888183 
       -765.01240379 
       -764.99672248 
   
  
  
       8.50    8.51
       8.66    8.66
   
       -768.83362286 
       -768.84921274 
       -768.83881949 
   
  
  
       7.58    7.58
       7.72    7.73
   
       -921.93999614 
       -921.96573304 
       -921.94857511 
   
  
  
       7.21    7.22
       7.36    7.37
   
       -922.70941464 
       -922.73311422 
       -922.71731450 
   
  
  
       7.87    7.88
       8.02    8.02
   
       -834.51012747 
       -834.50329857 
       -834.50785117 
   
  
  
       6.92    6.92
       7.07    7.07
   
       -877.31875142 
       -877.32005013 
       -877.31918432 
   
  
  
       6.93    6.94
       7.09    7.10
   
       -886.81256889 
       -886.82261469 
       -886.81591749 
   
  
  
       7.18    7.19
       7.34    7.34
   
       -887.66875647 
       -887.68278398 
       -887.67343231 
   
  
  
       7.27    7.27
       7.42    7.42
   
      -1007.77858984 
      -1007.80333767 
      -1007.78683911 
   
  
  
       7.23    7.23
       7.38    7.38
   
      -1144.21117359 
      -1144.21998657 
      -1144.21411125 
   
  
  
       8.44    8.45
       8.60    8.60
   
      -2200.48593544 
      -2200.49611491 
      -2200.48932860 
   
  
  
       9.10    9.11
       9.26    9.27
   
    -126630.32803044 
    -126630.31058712 
    -126630.32221600 
   
  
  
       5.89    5.90
       6.04    6.05
   
      -2329.38597898 
      -2329.37622912 
      -2329.38272903 
   
  
  
       6.61    6.61
       6.75    6.76
   
      -2472.92065135 
      -2472.92549024 
      -2472.92226432 
   
  
  
       6.72    6.72
       6.87    6.87
   
      -2922.54347528 
      -2922.56105852 
      -2922.54933636 
   
  
  
       5.68    5.68
       5.83    5.83
   
      -2539.54097601 
      -2539.53550758 
      -2539.53915320 
   
  
  
       4.28    4.29
       4.43    4.44
   
      -2504.76145042 
      -2504.78161673 
      -2504.76817252 
   
  
  
       6.80    6.81
       6.95    6.96
   
     -20132.72280604 
     -20132.69299636 
     -20132.71286948 
   
  
  
       6.00    6.00
       6.15    6.15
   
      -2473.68129235 
      -2473.70864552 
      -2473.69041008 
   
  
  
       6.13    6.13
       6.28    6.28
   
      -2136.43406665 
      -2136.41223446 
      -2136.42678925 
   
  
  
       5.57    5.57
       5.72    5.72
   
      -1677.67177142 
      -1677.65354090 
      -1677.66569458 
   
  
  
       5.60    5.61
       5.76    5.76
   
      -1632.81713758 
      -1632.79264045 
      -1632.80897187 
   
  
  
       5.47    5.47
       5.63    5.63
   
      -4408.40765460 
      -4408.39585252 
      -4408.40372058 
   
  
  
       6.73    6.74
       6.88    6.89
   
     -14210.15013478 
     -14210.15369587 
     -14210.15132181 
   
  
  
       6.30    6.30
       6.45    6.46
   
      -4033.01199809 
      -4033.00606106 
      -4033.01001908 
   
  
  
       6.60    6.60
       6.76    6.76
   
      -4070.32560291 
      -4070.31398146 
      -4070.32172909 
   
  
  
       6.68    6.68
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      -4462.38504047 
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