vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 06 20 
  09:02:44 
 
 
   No title
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      250.00000000
        1.11000000      0.32000000
   Auto
       1
        0.20000000
       1
   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 
   
  
  
          0.06387464       0.13049191       0.60190830 
          0.18758976       0.12521477       0.40408879 
          0.06258976       0.12521477       0.33829474 
          0.19019121       0.13324439       0.66881854 
          0.06273213       0.00077907       0.53746634 
          0.18758976       0.00021477       0.46912140 
          0.06258976       0.00021477       0.27245193 
          0.13574360       0.00352573       0.71129187 
          0.06428389       0.37451253       0.60556861 
          0.18758976       0.37521477       0.40408879 
          0.06258976       0.37521477       0.33829474 
          0.19372736       0.36619702       0.66893506 
          0.06283365       0.25354449       0.53479385 
          0.18758976       0.25021477       0.46912140 
          0.06258976       0.25021477       0.27245193 
          0.22919721       0.24915434       0.73848193 
          0.06261399       0.62355850       0.60293858 
          0.18758976       0.62521477       0.40408879 
          0.06258976       0.62521477       0.33829474 
          0.19168933       0.62328205       0.66539882 
          0.06289633       0.49833861       0.53745020 
          0.18758976       0.50021477       0.46912140 
          0.06258976       0.50021477       0.27245193 
          0.25705803       0.49591517       0.70147295 
          0.06255066       0.86921666       0.59891877 
          0.18758976       0.87521477       0.40408879 
          0.06258976       0.87521477       0.33829474 
          0.18667243       0.87544999       0.66534865 
          0.06262266       0.74563751       0.53400733 
          0.18758976       0.75021477       0.46912140 
          0.06258976       0.75021477       0.27245193 
          0.25663150       0.75008195       0.70224222 
          0.31158099       0.11965087       0.60000831 
          0.43758976       0.12521477       0.40408879 
          0.31258976       0.12521477       0.33829474 
          0.43875477       0.12524727       0.66416172 
          0.31234381       0.00084043       0.53128550 
          0.43758976       0.00021477       0.46912140 
          0.31258976       0.00021477       0.27245193 
          0.49987337       0.99689867       0.70480488 
          0.31306735       0.37456813       0.59556568 
          0.43758976       0.37521477       0.40408879 
          0.31258976       0.37521477       0.33829474 
          0.43351745       0.38370046       0.66760369 
          0.31212832       0.24636186       0.53439209 
          0.43758976       0.25021477       0.46912140 
          0.31258976       0.25021477       0.27245193 
          0.37441725       0.25310494       0.70296731 
          0.31601820       0.62646572       0.59491139 
          0.43758976       0.62521477       0.40408879 
          0.31258976       0.62521477       0.33829474 
          0.43095904       0.62406782       0.66929459 
          0.31284714       0.50036377       0.53177990 
          0.43758976       0.50021477       0.46912140 
          0.31258976       0.50021477       0.27245193 
          0.40109965       0.50191937       0.73676485 
          0.31348622       0.88160220       0.60007676 
          0.43758976       0.87521477       0.40408879 
          0.31258976       0.87521477       0.33829474 
          0.43571624       0.86819126       0.66787818 
          0.31284223       0.75467187       0.53430909 
          0.43758976       0.75021477       0.46912140 
          0.31258976       0.75021477       0.27245193 
          0.40147633       0.74815228       0.73462144 
          0.56411675       0.13189150       0.59884419 
          0.68758976       0.12521477       0.40408879 
          0.56258976       0.12521477       0.33829474 
          0.68425926       0.11772280       0.66856690 
          0.56251776       0.00039295       0.53724550 
          0.68758976       0.00021477       0.46912140 
          0.56258976       0.00021477       0.27245193 
          0.64560228       0.99930676       0.73565582 
          0.56318961       0.37720233       0.60516412 
          0.68758976       0.37521477       0.40408879 
          0.56258976       0.37521477       0.33829474 
          0.69332158       0.38294166       0.66722095 
          0.56283071       0.25591087       0.53459056 
          0.68758976       0.25021477       0.46912140 
          0.56258976       0.25021477       0.27245193 
          0.74464811       0.24908193       0.70303883 
          0.56156942       0.62457693       0.60672565 
          0.68758976       0.62521477       0.40408879 
          0.56258976       0.62521477       0.33829474 
          0.69257656       0.62152605       0.66778311 
          0.56215330       0.50143335       0.53772684 
          0.68758976       0.50021477       0.46912140 
          0.56258976       0.50021477       0.27245193 
          0.72522865       0.50109348       0.73714417 
          0.56235876       0.87029811       0.60066187 
          0.68758976       0.87521477       0.40408879 
          0.56258976       0.87521477       0.33829474 
          0.68441675       0.87847809       0.66902116 
          0.56247147       0.74593396       0.53543482 
          0.68758976       0.75021477       0.46912140 
          0.56258976       0.75021477       0.27245193 
          0.72812821       0.75084531       0.72540797 
          0.81231713       0.11932056       0.60280910 
          0.93758976       0.12521477       0.40408879 
          0.81258976       0.12521477       0.33829474 
          0.93824363       0.12675781       0.66835825 
          0.81279681       0.00025142       0.53277130 
          0.93758976       0.00021477       0.46912140 
          0.81258976       0.00021477       0.27245193 
          0.98711531       0.00051168       0.72093090 
          0.81242622       0.37403406       0.59516929 
          0.93758976       0.37521477       0.40408879 
          0.81258976       0.37521477       0.33829474 
          0.93323624       0.36934201       0.66652825 
          0.81308345       0.24484923       0.53493429 
          0.93758976       0.25021477       0.46912140 
          0.81258976       0.25021477       0.27245193 
          0.89124258       0.24867799       0.72790613 
          0.81023693       0.62873311       0.59515953 
          0.93758976       0.62521477       0.40408879 
          0.81258976       0.62521477       0.33829474 
          0.93366393       0.62844954       0.66618082 
          0.81254444       0.50101078       0.53224676 
          0.93758976       0.50021477       0.46912140 
          0.81258976       0.50021477       0.27245193 
          0.86958225       0.49879351       0.70093619 
          0.81095892       0.88061815       0.60301081 
          0.93758976       0.87521477       0.40408879 
          0.81258976       0.87521477       0.33829474 
          0.94009297       0.87580152       0.66667969 
          0.81230544       0.75638868       0.53462502 
          0.93758976       0.75021477       0.46912140 
          0.81258976       0.75021477       0.27245193 
          0.88769013       0.75330153       0.72482913 
          0.74471325       0.75374086       0.87728486 
          0.76908236       0.66195744       0.89247132 
          0.63920978       0.75003824       0.87304413 
          0.84802842       0.78263566       0.84092228 
          0.74969562       0.80933228       0.93736869 
  
 
 
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        131 
        132 
        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
       250.00000000
       400.00000000
         0.00001000
       38
       10
      328
       -1
       -1
       520.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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
        250.00000000
    
      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
   
  
  
       60
       60
       84
      120
      120
      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      0.32000000
      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      1.00000000
         0.00000000      0.00000000
         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
        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 
         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
    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
    H    2
    H    2
    H    2
    H    2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     129Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4H       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 
   
  
  
          0.06387464       0.13049191       0.60190830 
          0.18758976       0.12521477       0.40408879 
          0.06258976       0.12521477       0.33829474 
          0.19019121       0.13324439       0.66881854 
          0.06273213       0.00077907       0.53746634 
          0.18758976       0.00021477       0.46912140 
          0.06258976       0.00021477       0.27245193 
          0.13574360       0.00352573       0.71129187 
          0.06428389       0.37451253       0.60556861 
          0.18758976       0.37521477       0.40408879 
          0.06258976       0.37521477       0.33829474 
          0.19372736       0.36619702       0.66893506 
          0.06283365       0.25354449       0.53479385 
          0.18758976       0.25021477       0.46912140 
          0.06258976       0.25021477       0.27245193 
          0.22919721       0.24915434       0.73848193 
          0.06261399       0.62355850       0.60293858 
          0.18758976       0.62521477       0.40408879 
          0.06258976       0.62521477       0.33829474 
          0.19168933       0.62328205       0.66539882 
          0.06289633       0.49833861       0.53745020 
          0.18758976       0.50021477       0.46912140 
          0.06258976       0.50021477       0.27245193 
          0.25705803       0.49591517       0.70147295 
          0.06255066       0.86921666       0.59891877 
          0.18758976       0.87521477       0.40408879 
          0.06258976       0.87521477       0.33829474 
          0.18667243       0.87544999       0.66534865 
          0.06262266       0.74563751       0.53400733 
          0.18758976       0.75021477       0.46912140 
          0.06258976       0.75021477       0.27245193 
          0.25663150       0.75008195       0.70224222 
          0.31158099       0.11965087       0.60000831 
          0.43758976       0.12521477       0.40408879 
          0.31258976       0.12521477       0.33829474 
          0.43875477       0.12524727       0.66416172 
          0.31234381       0.00084043       0.53128550 
          0.43758976       0.00021477       0.46912140 
          0.31258976       0.00021477       0.27245193 
          0.49987337       0.99689867       0.70480488 
          0.31306735       0.37456813       0.59556568 
          0.43758976       0.37521477       0.40408879 
          0.31258976       0.37521477       0.33829474 
          0.43351745       0.38370046       0.66760369 
          0.31212832       0.24636186       0.53439209 
          0.43758976       0.25021477       0.46912140 
          0.31258976       0.25021477       0.27245193 
          0.37441725       0.25310494       0.70296731 
          0.31601820       0.62646572       0.59491139 
          0.43758976       0.62521477       0.40408879 
          0.31258976       0.62521477       0.33829474 
          0.43095904       0.62406782       0.66929459 
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