vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 01:51:59) gamma-only                       parallel 
  Lin64 
  2021 06 24 
  21:59:51 
 
 
   No title
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      262.47200000
        1.11000000      0.99000000      0.32000000
   Auto
       1
        0.20000000
       1
   F  
   F  
   F  
       4
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
          15.36108000       0.00000000       0.00000000 
           0.00000000      15.36108000       0.00000000 
           0.00000000       0.00000000      20.86192000 
   
      4922.63661360 
   
           0.06509959       0.00000000       0.00000000 
           0.00000000       0.06509959       0.00000000 
           0.00000000       0.00000000       0.04793423 
   
  
  
          0.06712688       0.12705663       0.60236161 
          0.19125355       0.12123351       0.40644950 
          0.06625355       0.12123351       0.34065545 
          0.18963287       0.11443782       0.67022660 
          0.06644120       0.99617647       0.53965212 
          0.19125355       0.99623351       0.47148211 
          0.06625355       0.99623351       0.27481264 
          0.15158246       0.99614613       0.73799255 
          0.06431094       0.37148977       0.60755051 
          0.19125355       0.37123351       0.40644950 
          0.06625355       0.37123351       0.34065545 
          0.19574791       0.36971365       0.66798763 
          0.06624867       0.25048691       0.53681064 
          0.19125355       0.24623351       0.47148211 
          0.06625355       0.24623351       0.27481264 
          0.26009571       0.24159290       0.70381140 
          0.06433344       0.62048745       0.60717662 
          0.19125355       0.62123351       0.40644950 
          0.06625355       0.62123351       0.34065545 
          0.19544725       0.62252235       0.66818861 
          0.06614525       0.49592268       0.53998704 
          0.19125355       0.49623351       0.47148211 
          0.06625355       0.49623351       0.27481264 
          0.26545191       0.49615748       0.70164858 
          0.06730530       0.86485200       0.60184817 
          0.19125355       0.87123351       0.40644950 
          0.06625355       0.87123351       0.34065545 
          0.18944284       0.87797706       0.67016762 
          0.06645762       0.74151059       0.53661199 
          0.19125355       0.74623351       0.47148211 
          0.06625355       0.74623351       0.27481264 
          0.25975857       0.75079289       0.70379424 
          0.31650643       0.11484337       0.60304657 
          0.44125355       0.12123351       0.40644950 
          0.31625355       0.12123351       0.34065545 
          0.44086850       0.12727664       0.66890117 
          0.31603653       0.99610586       0.53365853 
          0.44125355       0.99623351       0.47148211 
          0.31625355       0.99623351       0.27481264 
          0.50353195       0.99626805       0.70296837 
          0.31963627       0.36987407       0.59699904 
          0.44125355       0.37123351       0.40644950 
          0.31625355       0.37123351       0.34065545 
          0.43502346       0.37001244       0.67136010 
          0.31602738       0.24111873       0.53678975 
          0.44125355       0.24623351       0.47148211 
          0.31625355       0.24623351       0.27481264 
          0.40509860       0.24609821       0.73665863 
          0.31941488       0.62236165       0.59710548 
          0.44125355       0.62123351       0.40644950 
          0.31625355       0.62123351       0.34065545 
          0.43524825       0.62210751       0.67116384 
          0.31660114       0.49612662       0.53426304 
          0.44125355       0.49623351       0.47148211 
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          0.44125355       0.74623351       0.47148211 
          0.31625355       0.74623351       0.27481264 
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          0.69125355       0.12123351       0.40644950 
          0.56625355       0.12123351       0.34065545 
          0.68969182       0.11472387       0.66925642 
          0.56631178       0.99600975       0.53994600 
          0.69125355       0.99623351       0.47148211 
          0.56625355       0.99623351       0.27481264 
          0.64915941       0.99429548       0.73254254 
          0.56429030       0.37157631       0.60753440 
          0.69125355       0.37123351       0.40644950 
          0.56625355       0.37123351       0.34065545 
          0.69548960       0.37007289       0.66831510 
          0.56636896       0.25090346       0.53660428 
          0.69125355       0.24623351       0.47148211 
          0.56625355       0.24623351       0.27481264 
          0.76054584       0.24172569       0.70346550 
          0.56508142       0.62096462       0.60785088 
          0.69125355       0.62123351       0.40644950 
          0.56625355       0.62123351       0.34065545 
          0.69726789       0.62485237       0.66735461 
          0.56611994       0.49632267       0.54029962 
          0.69125355       0.49623351       0.47148211 
          0.56625355       0.49623351       0.27481264 
          0.76224312       0.49712446       0.70357551 
          0.56706735       0.86491428       0.60268148 
          0.69125355       0.87123351       0.40644950 
          0.56625355       0.87123351       0.34065545 
          0.69133102       0.87281051       0.66975277 
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          0.69125355       0.74623351       0.47148211 
          0.56625355       0.74623351       0.27481264 
          0.74040414       0.74822895       0.72691571 
          0.81713032       0.11508417       0.60287193 
          0.94125355       0.12123351       0.40644950 
          0.81625355       0.12123351       0.34065545 
          0.94125730       0.12688048       0.66944030 
          0.81612028       0.99588001       0.53388188 
          0.94125355       0.99623351       0.47148211 
          0.81625355       0.99623351       0.27481264 
          0.00558150       0.99743132       0.70559239 
          0.81942365       0.37079315       0.59739802 
          0.94125355       0.37123351       0.40644950 
          0.81625355       0.37123351       0.34065545 
          0.93504723       0.37086941       0.67158170 
          0.81633008       0.24202916       0.53701380 
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          0.90561835       0.24634679       0.73626905 
          0.81836701       0.62321167       0.59652400 
          0.94125355       0.62123351       0.40644950 
          0.81625355       0.62123351       0.34065545 
          0.93435806       0.61879956       0.66979478 
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          0.94125355       0.49623351       0.47148211 
          0.81625355       0.49623351       0.27481264 
          0.90685609       0.49588384       0.73564701 
          0.81609638       0.87777086       0.60272386 
          0.94125355       0.87123351       0.40644950 
          0.81625355       0.87123351       0.34065545 
          0.94162065       0.86847117       0.66788093 
          0.81592041       0.75178553       0.53646897 
          0.94125355       0.74623351       0.47148211 
          0.81625355       0.74623351       0.27481264 
          0.89817137       0.74569287       0.72812609 
          0.68304573       0.73532530       0.83092498 
          0.71775669       0.84115055       0.88650830 
          0.73106072       0.62332607       0.87326115 
          0.58597099       0.72919945       0.83181579 
          0.93149080       0.74648321       0.79592355 
  
 
 
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        133 
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       262.47200000
       400.00000000
         0.00001000
       38
       10
      336
       -1
       -1
       532.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      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
        262.47200000
    
      T  
      F  
           0.00000000
           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
   
  
  
       64
       64
       84
      128
      128
      168
    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      0.99000000      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  
        28.08500000     35.45300000      1.00000000
         0.00000000      0.00000000      0.00000000
         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
        22.20738322
         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  
  
 
 
       133 
         3 
  
   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
    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
    Cl   2
    Cl   2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     129Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          15.36108000       0.00000000       0.00000000 
           0.00000000      15.36108000       0.00000000 
           0.00000000       0.00000000      20.86192000 
   
      4922.63661360 
   
           0.06509959       0.00000000       0.00000000 
           0.00000000       0.06509959       0.00000000 
           0.00000000       0.00000000       0.04793423 
   
  
  
          0.06712688       0.12705663       0.60236161 
          0.19125355       0.12123351       0.40644950 
          0.06625355       0.12123351       0.34065545 
          0.18963287       0.11443782       0.67022660 
          0.06644120       0.99617647       0.53965212 
          0.19125355       0.99623351       0.47148211 
          0.06625355       0.99623351       0.27481264 
          0.15158246       0.99614613       0.73799255 
          0.06431094       0.37148977       0.60755051 
          0.19125355       0.37123351       0.40644950 
          0.06625355       0.37123351       0.34065545 
          0.19574791       0.36971365       0.66798763 
          0.06624867       0.25048691       0.53681064 
          0.19125355       0.24623351       0.47148211 
          0.06625355       0.24623351       0.27481264 
          0.26009571       0.24159290       0.70381140 
          0.06433344       0.62048745       0.60717662 
          0.19125355       0.62123351       0.40644950 
          0.06625355       0.62123351       0.34065545 
          0.19544725       0.62252235       0.66818861 
          0.06614525       0.49592268       0.53998704 
          0.19125355       0.49623351       0.47148211 
          0.06625355       0.49623351       0.27481264 
          0.26545191       0.49615748       0.70164858 
          0.06730530       0.86485200       0.60184817 
          0.19125355       0.87123351       0.40644950 
          0.06625355       0.87123351       0.34065545 
          0.18944284       0.87797706       0.67016762 
          0.06645762       0.74151059       0.53661199 
          0.19125355       0.74623351       0.47148211 
          0.06625355       0.74623351       0.27481264 
          0.25975857       0.75079289       0.70379424 
          0.31650643       0.11484337       0.60304657 
          0.44125355       0.12123351       0.40644950 
          0.31625355       0.12123351       0.34065545 
          0.44086850       0.12727664       0.66890117 
          0.31603653       0.99610586       0.53365853 
          0.44125355       0.99623351       0.47148211 
          0.31625355       0.99623351       0.27481264 
          0.50353195       0.99626805       0.70296837 
          0.31963627       0.36987407       0.59699904 
          0.44125355       0.37123351       0.40644950 
          0.31625355       0.37123351       0.34065545 
          0.43502346       0.37001244       0.67136010 
          0.31602738       0.24111873       0.53678975 
          0.44125355       0.24623351       0.47148211 
          0.31625355       0.24623351       0.27481264 
          0.40509860       0.24609821       0.73665863 
          0.31941488       0.62236165       0.59710548 
          0.44125355       0.62123351       0.40644950 
          0.31625355       0.62123351       0.34065545 
          0.43524825       0.62210751       0.67116384 
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          0.56625355       0.62123351       0.34065545 
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          0.69125355       0.87123351       0.40644950 
          0.56625355       0.87123351       0.34065545 
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          0.81625355       0.99623351       0.27481264 
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          0.94125355       0.62123351       0.40644950 
          0.81625355       0.62123351       0.34065545 
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          0.94125355       0.74623351       0.47148211 
          0.81625355       0.74623351       0.27481264 
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          0.73106072       0.62332607       0.87326115 
          0.58597099       0.72919945       0.83181579 
          0.93149080       0.74648321       0.79592355 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      10.29   10.30
      10.92   10.93
   
        124.37497269 
      24153.03689539 
     -37498.89701396 
      -1177.84425864 
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