vasp 
  6.3.2  
  27Jun22 (build Jan 12 2023 12:08:26) complex                          parallel 
  Lin64 
  2024 09 17 
  00:28:59 
 
 
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
       2
        0.00001000
       -0.02000000
     800
       2
       1
      400.00000000
        1.11000000      0.73000000      0.99000000      0.32000000      0.75000000
       -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06000000      0.01400000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00200000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.16400000      0.01700000      0.00000000      0.01600000     -0.03900000      0.00600000      0.00100000      0.00000000      0.00100000      0.00100000     -0.00100000     -0.00700000      0.02200000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
   F  
       1
        0.20000000
       1
   F  
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.01830690       0.46083129       0.07408164 
           0.01208788       0.54030691       0.42963998 
           0.27524145       0.46020889       0.18625977 
           0.25993884       0.53681348       0.30567434 
           0.00000000       0.23711251       0.43249270 
           0.25000000       0.23711251       0.31750730 
           0.00000000       0.31002987       0.06310984 
           0.25000000       0.31002987       0.18689016 
           0.00000000       0.38653400       0.43672229 
           0.25000000       0.38653400       0.31327771 
           0.00482319       0.46461705       0.55879704 
           0.01360014       0.54002374       0.95763275 
           0.25115614       0.46693890       0.69232746 
           0.23829703       0.54812551       0.81339450 
           0.25000000       0.23711251       0.81750730 
           0.00000000       0.31002987       0.56310984 
           0.25000000       0.31002987       0.68689016 
           0.00000000       0.38653400       0.93672229 
           0.25000000       0.38653400       0.81327771 
           0.51649563       0.46704035       0.04941474 
           0.50764742       0.54060427       0.43259716 
           0.75439369       0.46207165       0.19169269 
           0.75827781       0.53951008       0.30880320 
           0.50000000       0.23711251       0.43249270 
           0.75000000       0.23711251       0.31750730 
           0.50000000       0.31002987       0.06310984 
           0.75000000       0.31002987       0.18689016 
           0.50000000       0.38653400       0.43672229 
           0.75000000       0.38653400       0.31327771 
           0.50232273       0.46462133       0.56379753 
           0.48594450       0.55224796       0.94113139 
           0.75694030       0.46616854       0.68559435 
           0.75340360       0.53479545       0.84336769 
           0.50000000       0.23711251       0.93249270 
           0.75000000       0.23711251       0.81750730 
           0.75000000       0.31002987       0.68689016 
           0.50000000       0.38653400       0.93672229 
           0.75000000       0.38653400       0.81327771 
           0.07762034       0.65525049       0.80071458 
           0.48394554       0.66285029       0.48425638 
           0.18622716       0.60268254       0.72707267 
           0.50550068       0.60061853       0.50726159 
           0.03226106       0.59782860       0.50726975 
           0.26392369       0.59471530       0.22110614 
           0.02283631       0.59146148       0.05872734 
           0.75983150       0.59161227       0.20959502 
           0.50054382       0.60407337       0.03908758 
           0.70608670       0.47469422       0.93128155 
           0.98424334       0.18344570       0.52994906 
           0.24510103       0.18299588       0.22101075 
           0.17953656       0.17708439       0.79155281 
           0.77718171       0.18226454       0.22973833 
           0.50999431       0.18450339       0.02985416 
           0.81791397       0.18064292       0.75353708 
           0.64468770       0.69538500       0.35592817 
           0.79291417       0.62089704       0.74958543 
           0.49372658       0.70808532       0.63620153 
           0.04890492       0.71318232       0.65164257 
           0.07926014       0.59546908       0.59339477 
           0.16445851       0.59555417       0.15670668 
           0.91581769       0.59423142       0.11376308 
           0.65923911       0.59630788       0.15127172 
           0.40620506       0.60500028       0.10280571 
           0.80993654       0.45175013       0.94634830 
           0.16946627       0.64723684       0.46088717 
           0.26912378       0.65217105       0.32518512 
           0.99536206       0.14903580       0.49067949 
           0.12721631       0.17313799       0.19494424 
           0.05322771       0.17226508       0.77559308 
           0.69429038       0.17837594       0.16039701 
           0.40954861       0.18077474       0.08687050 
           0.85480633       0.18254572       0.66496892 
           0.27778316       0.76926367       0.40839069 
           0.26696260       0.66963010       0.41345073 
   
  
  
           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 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   unknown system
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       11
      184
       -1
       -1
       292.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     F  
          0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
         -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06000000      0.01400000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00200000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.16400000      0.01700000      0.00000000      0.01600000     -0.03900000      0.00600000      0.00100000      0.00000000      0.00100000      0.00100000     -0.00100000     -0.00700000      0.02200000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         -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  
           0.00100000
           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
   
  
  
       40
      126
       54
       80
      252
      108
    F  
  
  
      800
        2
        0
        2
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      800
      256
        10.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.99000000      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  
        28.08500000     16.00000000     35.45300000      1.00000000     14.00100000
         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  
    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
        17.05350090
         1.00000000
  
  
    F  
    F  
    F  
    F  
         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
        1
        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
  
  
        1
    F  
  
  
    F  
  
 
 
        74 
         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
    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
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.01830690       0.46083129       0.07408164 
          0.01208788       0.54030691       0.42963998 
          0.27524145       0.46020889       0.18625977 
          0.25993884       0.53681348       0.30567434 
          0.00000000       0.23711251       0.43249270 
          0.25000000       0.23711251       0.31750730 
          0.00000000       0.31002987       0.06310984 
          0.25000000       0.31002987       0.18689016 
          0.00000000       0.38653400       0.43672229 
          0.25000000       0.38653400       0.31327771 
          0.00482319       0.46461705       0.55879704 
          0.01360014       0.54002374       0.95763275 
          0.25115614       0.46693890       0.69232746 
          0.23829703       0.54812551       0.81339450 
          0.25000000       0.23711251       0.81750730 
          0.00000000       0.31002987       0.56310984 
          0.25000000       0.31002987       0.68689016 
          0.00000000       0.38653400       0.93672229 
          0.25000000       0.38653400       0.81327771 
          0.51649563       0.46704035       0.04941474 
          0.50764742       0.54060427       0.43259716 
          0.75439369       0.46207165       0.19169269 
          0.75827781       0.53951008       0.30880320 
          0.50000000       0.23711251       0.43249270 
          0.75000000       0.23711251       0.31750730 
          0.50000000       0.31002987       0.06310984 
          0.75000000       0.31002987       0.18689016 
          0.50000000       0.38653400       0.43672229 
          0.75000000       0.38653400       0.31327771 
          0.50232273       0.46462133       0.56379753 
          0.48594450       0.55224796       0.94113139 
          0.75694030       0.46616854       0.68559435 
          0.75340360       0.53479545       0.84336769 
          0.50000000       0.23711251       0.93249270 
          0.75000000       0.23711251       0.81750730 
          0.75000000       0.31002987       0.68689016 
          0.50000000       0.38653400       0.93672229 
          0.75000000       0.38653400       0.81327771 
          0.07762034       0.65525049       0.80071458 
          0.48394554       0.66285029       0.48425638 
          0.18622716       0.60268254       0.72707267 
          0.50550068       0.60061853       0.50726159 
          0.03226106       0.59782860       0.50726975 
          0.26392369       0.59471530       0.22110614 
          0.02283631       0.59146148       0.05872734 
          0.75983150       0.59161227       0.20959502 
          0.50054382       0.60407337       0.03908758 
          0.70608670       0.47469422       0.93128155 
          0.98424334       0.18344570       0.52994906 
          0.24510103       0.18299588       0.22101075 
          0.17953656       0.17708439       0.79155281 
          0.77718171       0.18226454       0.22973833 
          0.50999431       0.18450339       0.02985416 
          0.81791397       0.18064292       0.75353708 
          0.64468770       0.69538500       0.35592817 
          0.79291417       0.62089704       0.74958543 
          0.49372658       0.70808532       0.63620153 
          0.04890492       0.71318232       0.65164257 
          0.07926014       0.59546908       0.59339477 
          0.16445851       0.59555417       0.15670668 
          0.91581769       0.59423142       0.11376308 
          0.65923911       0.59630788       0.15127172 
          0.40620506       0.60500028       0.10280571 
          0.80993654       0.45175013       0.94634830 
          0.16946627       0.64723684       0.46088717 
          0.26912378       0.65217105       0.32518512 
          0.99536206       0.14903580       0.49067949 
          0.12721631       0.17313799       0.19494424 
          0.05322771       0.17226508       0.77559308 
          0.69429038       0.17837594       0.16039701 
          0.40954861       0.18077474       0.08687050 
          0.85480633       0.18254572       0.66496892 
          0.27778316       0.76926367       0.40839069 
          0.26696260       0.66963010       0.41345073 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     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 
     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 
     F  F  F 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
   
   
   
        116.56810430 
      24695.44953913 
     -35781.02627258 
        152.54172835 
       9914.68696985 
      -9237.91595486 
         -0.00037918 
       -362.98959745 
      12264.83694835 
       1762.15108590 
       1762.15146508 
       1762.15121230 
   
  
  
   
   
   
       -108.41488318 
       -108.39180404 
       -108.40719014 
   
  
  
   
   
   
       -399.51808668 
       -399.40918116 
       -399.48178484 
   
  
  
   
   
   
       -413.31527383 
       -413.20933213 
       -413.27995993 
   
  
  
   
   
   
       -413.81399965 
       -413.70806754 
       -413.77868894 
   
  
  
   
   
   
       -387.84715806 
       -387.86371400 
       -387.85267671 
   
  
  
   
   
   
       -390.50777060 
       -390.49405243 
       -390.50319788 
   
  
  
   
   
   
       -389.70062468 
       -389.76316105 
       -389.72147014 
   
  
  
   
   
   
       -387.79864640 
       -387.78929757 
       -387.79553012 
   
  
  
   
   
   
       -387.21826220 
       -387.16661708 
       -387.20104716 
   
  
  
   
   
   
       -387.71605511 
       -387.68858583 
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      -387.27441351 
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      -387.56812692 
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      -387.93676353 
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