vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 06 20 
  20:39:02 
 
 
   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 
   
  
  
          0.06358122       0.13113649       0.60106410 
          0.18754833       0.12511565       0.40327001 
          0.06254833       0.12511565       0.33747596 
          0.19070686       0.13375588       0.66788091 
          0.06262554       0.00057617       0.53688591 
          0.18754833       0.00011565       0.46830262 
          0.06254833       0.00011565       0.27163315 
          0.12878512       0.00432821       0.70453993 
          0.06437076       0.37473945       0.60471627 
          0.18754833       0.37511565       0.40327001 
          0.06254833       0.37511565       0.33747596 
          0.19367466       0.36619690       0.66845715 
          0.06270848       0.25351378       0.53399735 
          0.18754833       0.25011565       0.46830262 
          0.06254833       0.25011565       0.27163315 
          0.22923101       0.24930307       0.73857222 
          0.06304782       0.62370989       0.60206205 
          0.18754833       0.62511565       0.40327001 
          0.06254833       0.62511565       0.33747596 
          0.19207664       0.62285252       0.66476055 
          0.06285222       0.49843782       0.53658032 
          0.18754833       0.50011565       0.46830262 
          0.06254833       0.50011565       0.27163315 
          0.25755093       0.49558394       0.70132774 
          0.06230348       0.86859889       0.59856597 
          0.18754833       0.87511565       0.40327001 
          0.06254833       0.87511565       0.33747596 
          0.18742287       0.87506952       0.66435406 
          0.06242274       0.74583026       0.53304819 
          0.18754833       0.75011565       0.46830262 
          0.06254833       0.75011565       0.27163315 
          0.25761029       0.74959311       0.70151726 
          0.31157103       0.11968229       0.59892998 
          0.43754833       0.12511565       0.40327001 
          0.31254833       0.12511565       0.33747596 
          0.43854173       0.12476835       0.66329281 
          0.31239112       0.00094909       0.53039636 
          0.43754833       0.00011565       0.46830262 
          0.31254833       0.00011565       0.27163315 
          0.49978276       0.99654166       0.70451005 
          0.31271878       0.37433564       0.59485352 
          0.43754833       0.37511565       0.40327001 
          0.31254833       0.37511565       0.33747596 
          0.43304116       0.38393939       0.66699535 
          0.31214814       0.24638436       0.53343285 
          0.43754833       0.25011565       0.46830262 
          0.31254833       0.25011565       0.27163315 
          0.37449344       0.25293820       0.70232901 
          0.31609330       0.62625901       0.59387967 
          0.43754833       0.62511565       0.40327001 
          0.31254833       0.62511565       0.33747596 
          0.43021572       0.62371952       0.66878079 
          0.31276780       0.50002792       0.53097298 
          0.43754833       0.50011565       0.46830262 
          0.31254833       0.50011565       0.27163315 
          0.40145365       0.50191269       0.73695348 
          0.31373150       0.88145312       0.59889502 
          0.43754833       0.87511565       0.40327001 
          0.31254833       0.87511565       0.33747596 
          0.43560286       0.86803281       0.66708216 
          0.31285769       0.75439277       0.53337368 
          0.43754833       0.75011565       0.46830262 
          0.31254833       0.75011565       0.27163315 
          0.40227441       0.74808570       0.73445667 
          0.56396186       0.13146324       0.59789790 
          0.68754833       0.12511565       0.40327001 
          0.56254833       0.12511565       0.33747596 
          0.68342455       0.11661703       0.66797963 
          0.56244633       0.00030021       0.53621103 
          0.68754833       0.00011565       0.46830262 
          0.56254833       0.00011565       0.27163315 
          0.64498996       0.00087470       0.73852854 
          0.56255098       0.37732461       0.60425752 
          0.68754833       0.37511565       0.40327001 
          0.56254833       0.37511565       0.33747596 
          0.69284238       0.38368302       0.66614543 
          0.56282208       0.25563138       0.53385971 
          0.68754833       0.25011565       0.46830262 
          0.56254833       0.25011565       0.27163315 
          0.74236770       0.24880884       0.70088449 
          0.56059590       0.62423823       0.60588102 
          0.68754833       0.62511565       0.40327001 
          0.56254833       0.62511565       0.33747596 
          0.69222228       0.61655799       0.66634960 
          0.56206340       0.50133697       0.53668674 
          0.68754833       0.50011565       0.46830262 
          0.56254833       0.50011565       0.27163315 
          0.72384113       0.49984689       0.73919583 
          0.56196681       0.87013279       0.59980188 
          0.68754833       0.87511565       0.40327001 
          0.56254833       0.87511565       0.33747596 
          0.68333341       0.88418063       0.66874257 
          0.56252353       0.74569451       0.53469508 
          0.68754833       0.75011565       0.46830262 
          0.56254833       0.75011565       0.27163315 
          0.73358793       0.75105270       0.70754348 
          0.81264587       0.11911609       0.60327815 
          0.93754833       0.12511565       0.40327001 
          0.81254833       0.12511565       0.33747596 
          0.94012509       0.12169266       0.66854647 
          0.81283690       0.00017506       0.53160704 
          0.93754833       0.00011565       0.46830262 
          0.81254833       0.00011565       0.27163315 
          0.98271756       0.00122483       0.73167610 
          0.81114866       0.37428500       0.59342612 
          0.93754833       0.37511565       0.40327001 
          0.81254833       0.37511565       0.33747596 
          0.93296381       0.36927318       0.66495346 
          0.81284981       0.24431976       0.53419676 
          0.93754833       0.25011565       0.46830262 
          0.81254833       0.25011565       0.27163315 
          0.88976867       0.24663454       0.72235745 
          0.80989628       0.62689740       0.59345360 
          0.93754833       0.62511565       0.40327001 
          0.81254833       0.62511565       0.33747596 
          0.93313774       0.62532150       0.66356814 
          0.81239684       0.50044559       0.53060342 
          0.93754833       0.50011565       0.46830262 
          0.81254833       0.50011565       0.27163315 
          0.86707876       0.49746233       0.69979303 
          0.81210401       0.88037618       0.60372092 
          0.93754833       0.87511565       0.40327001 
          0.81254833       0.87511565       0.33747596 
          0.94167576       0.88201696       0.66776166 
          0.81240804       0.75610879       0.53402881 
          0.93754833       0.75011565       0.46830262 
          0.81254833       0.75011565       0.27163315 
          0.88243969       0.75363929       0.70825719 
          0.75349936       0.75609250       0.90315325 
          0.77886412       0.66196352       0.90712074 
          0.66354758       0.76306228       0.87443728 
          0.81677384       0.80423933       0.86316793 
          0.75397576       0.79016232       0.96998622 
  
 
 
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        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 
   
  
  
          0.06358122       0.13113649       0.60106410 
          0.18754833       0.12511565       0.40327001 
          0.06254833       0.12511565       0.33747596 
          0.19070686       0.13375588       0.66788091 
          0.06262554       0.00057617       0.53688591 
          0.18754833       0.00011565       0.46830262 
          0.06254833       0.00011565       0.27163315 
          0.12878512       0.00432821       0.70453993 
          0.06437076       0.37473945       0.60471627 
          0.18754833       0.37511565       0.40327001 
          0.06254833       0.37511565       0.33747596 
          0.19367466       0.36619690       0.66845715 
          0.06270848       0.25351378       0.53399735 
          0.18754833       0.25011565       0.46830262 
          0.06254833       0.25011565       0.27163315 
          0.22923101       0.24930307       0.73857222 
          0.06304782       0.62370989       0.60206205 
          0.18754833       0.62511565       0.40327001 
          0.06254833       0.62511565       0.33747596 
          0.19207664       0.62285252       0.66476055 
          0.06285222       0.49843782       0.53658032 
          0.18754833       0.50011565       0.46830262 
          0.06254833       0.50011565       0.27163315 
          0.25755093       0.49558394       0.70132774 
          0.06230348       0.86859889       0.59856597 
          0.18754833       0.87511565       0.40327001 
          0.06254833       0.87511565       0.33747596 
          0.18742287       0.87506952       0.66435406 
          0.06242274       0.74583026       0.53304819 
          0.18754833       0.75011565       0.46830262 
          0.06254833       0.75011565       0.27163315 
          0.25761029       0.74959311       0.70151726 
          0.31157103       0.11968229       0.59892998 
          0.43754833       0.12511565       0.40327001 
          0.31254833       0.12511565       0.33747596 
          0.43854173       0.12476835       0.66329281 
          0.31239112       0.00094909       0.53039636 
          0.43754833       0.00011565       0.46830262 
          0.31254833       0.00011565       0.27163315 
          0.49978276       0.99654166       0.70451005 
          0.31271878       0.37433564       0.59485352 
          0.43754833       0.37511565       0.40327001 
          0.31254833       0.37511565       0.33747596 
          0.43304116       0.38393939       0.66699535 
          0.31214814       0.24638436       0.53343285 
          0.43754833       0.25011565       0.46830262 
          0.31254833       0.25011565       0.27163315 
          0.37449344       0.25293820       0.70232901 
          0.31609330       0.62625901       0.59387967 
          0.43754833       0.62511565       0.40327001 
          0.31254833       0.62511565       0.33747596 
          0.43021572       0.62371952       0.66878079 
          0.31276780       0.50002792       0.53097298 
          0.43754833       0.50011565       0.46830262 
          0.31254833       0.50011565       0.27163315 
          0.40145365       0.50191269       0.73695348 
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          0.68754833       0.87511565       0.40327001 
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          0.93754833       0.87511565       0.40327001 
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          0.93754833       0.75011565       0.46830262 
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          0.75349936       0.75609250       0.90315325 
          0.77886412       0.66196352       0.90712074 
          0.66354758       0.76306228       0.87443728 
          0.81677384       0.80423933       0.86316793 
          0.75397576       0.79016232       0.96998622 
  
  
     T  T  T 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      11.48   11.54
      13.85   13.92
   
        115.70992877 
      25626.74692111 
     -38189.57548672 
      -1214.37158600 
      11376.50626006 
      -9107.00841578 
         -0.00454691 
       -423.42211273 
      13344.57217335 
       1529.15313515 
       1529.15768206 
       1529.15465079 
   
  
  
      13.51   13.56
      13.51   13.56
   
       -495.27538464 
       -495.27770987 
       -495.27615972 
   
  
  
      13.44   13.49
      13.44   13.49
   
       -665.97452774 
       -665.83870855 
       -665.92925467