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 
   
  
  
          0.06394707       0.13074842       0.60070123 
          0.18754143       0.12509912       0.40313355 
          0.06254143       0.12509912       0.33733950 
          0.19055484       0.13337250       0.66779823 
          0.06254812       0.00044451       0.53664824 
          0.18754143       0.00009912       0.46816616 
          0.06254143       0.00009912       0.27149669 
          0.13075611       0.00403275       0.70666115 
          0.06493132       0.37466156       0.60435488 
          0.18754143       0.37509912       0.40313355 
          0.06254143       0.37509912       0.33733950 
          0.19379615       0.36616441       0.66830491 
          0.06277305       0.25329901       0.53387154 
          0.18754143       0.25009912       0.46816616 
          0.06254143       0.25009912       0.27149669 
          0.22905678       0.24903523       0.73810331 
          0.06280768       0.62368832       0.60215498 
          0.18754143       0.62509912       0.40313355 
          0.06254143       0.62509912       0.33733950 
          0.19182679       0.62304094       0.66469736 
          0.06280827       0.49850358       0.53647559 
          0.18754143       0.50009912       0.46816616 
          0.06254143       0.50009912       0.27149669 
          0.25727600       0.49570982       0.70108239 
          0.06218528       0.86870552       0.59848742 
          0.18754143       0.87509912       0.40313355 
          0.06254143       0.87509912       0.33733950 
          0.18713029       0.87535915       0.66438646 
          0.06250159       0.74576452       0.53304813 
          0.18754143       0.75009912       0.46816616 
          0.06254143       0.75009912       0.27149669 
          0.25675200       0.74997052       0.70133873 
          0.31144394       0.11950040       0.59886393 
          0.43754143       0.12509912       0.40313355 
          0.31254143       0.12509912       0.33733950 
          0.43838563       0.12468031       0.66322208 
          0.31233500       0.00082547       0.53027887 
          0.43754143       0.00009912       0.46816616 
          0.31254143       0.00009912       0.27149669 
          0.49960402       0.99654910       0.70446884 
          0.31280931       0.37435388       0.59470291 
          0.43754143       0.37509912       0.40313355 
          0.31254143       0.37509912       0.33733950 
          0.43311933       0.38363358       0.66686052 
          0.31209519       0.24628500       0.53338088 
          0.43754143       0.25009912       0.46816616 
          0.31254143       0.25009912       0.27149669 
          0.37434346       0.25278313       0.70213652 
          0.31597228       0.62629017       0.59392150 
          0.43754143       0.62509912       0.40313355 
          0.31254143       0.62509912       0.33733950 
          0.43038414       0.62355414       0.66860700 
          0.31276652       0.50011142       0.53089208 
          0.43754143       0.50009912       0.46816616 
          0.31254143       0.50009912       0.27149669 
          0.40118087       0.50168875       0.73655128 
          0.31351070       0.88143749       0.59892086 
          0.43754143       0.87509912       0.40313355 
          0.31254143       0.87509912       0.33733950 
          0.43546729       0.86817137       0.66696255 
          0.31280288       0.75442498       0.53334685 
          0.43754143       0.75009912       0.46816616 
          0.31254143       0.75009912       0.27149669 
          0.40135665       0.74807528       0.73370950 
          0.56381873       0.13147790       0.59791336 
          0.68754143       0.12509912       0.40313355 
          0.56254143       0.12509912       0.33733950 
          0.68331262       0.11635005       0.66793987 
          0.56255952       0.00022666       0.53625656 
          0.68754143       0.00009912       0.46816616 
          0.56254143       0.00009912       0.27149669 
          0.64491988       0.00024607       0.73762856 
          0.56265785       0.37711872       0.60424679 
          0.68754143       0.37509912       0.40313355 
          0.56254143       0.37509912       0.33733950 
          0.69301064       0.38332566       0.66595333 
          0.56281880       0.25555353       0.53375969 
          0.68754143       0.25009912       0.46816616 
          0.56254143       0.25009912       0.27149669 
          0.73981924       0.24861773       0.70288983 
          0.56100157       0.62442979       0.60591363 
          0.68754143       0.62509912       0.40313355 
          0.56254143       0.62509912       0.33733950 
          0.69282220       0.61770422       0.66627047 
          0.56220468       0.50128792       0.53677546 
          0.68754143       0.50009912       0.46816616 
          0.56254143       0.50009912       0.27149669 
          0.72387688       0.50017986       0.73806438 
          0.56202181       0.86989321       0.59986317 
          0.68754143       0.87509912       0.40313355 
          0.56254143       0.87509912       0.33733950 
          0.68359852       0.88295614       0.66888037 
          0.56249533       0.74570379       0.53455066 
          0.68754143       0.75009912       0.46816616 
          0.56254143       0.75009912       0.27149669 
          0.73451814       0.75094887       0.70956176 
          0.81234022       0.11958914       0.60324262 
          0.93754143       0.12509912       0.40313355 
          0.81254143       0.12509912       0.33733950 
          0.94055061       0.12075200       0.66801562 
          0.81277974       0.00038146       0.53152428 
          0.93754143       0.00009912       0.46816616 
          0.81254143       0.00009912       0.27149669 
          0.98367504       0.00003956       0.73065070 
          0.81133435       0.37395794       0.59337468 
          0.93754143       0.37509912       0.40313355 
          0.81254143       0.37509912       0.33733950 
          0.93362621       0.37077304       0.66454660 
          0.81284387       0.24430288       0.53398192 
          0.93754143       0.25009912       0.46816616 
          0.81254143       0.25009912       0.27149669 
          0.88810332       0.24678397       0.71893518 
          0.81018009       0.62706236       0.59317358 
          0.93754143       0.62509912       0.40313355 
          0.81254143       0.62509912       0.33733950 
          0.93294554       0.62625556       0.66367040 
          0.81236888       0.50032868       0.53053879 
          0.93754143       0.50009912       0.46816616 
          0.81254143       0.50009912       0.27149669 
          0.86727045       0.49844233       0.69965932 
          0.81181508       0.88062262       0.60343458 
          0.93754143       0.87509912       0.40313355 
          0.81254143       0.87509912       0.33733950 
          0.94115498       0.88045404       0.66751919 
          0.81246122       0.75641643       0.53385681 
          0.93754143       0.75009912       0.46816616 
          0.81254143       0.75009912       0.27149669 
          0.88300215       0.75319473       0.71073986 
          0.75407728       0.75535521       0.91013056 
          0.78434287       0.66501010       0.90575352 
          0.66300530       0.76025546       0.88683011 
          0.82095703       0.80828506       0.87402198 
          0.75254178       0.79100136       0.97741361 
  
 
 
          1 
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          8 
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        129 
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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 
   
  
  
          0.06394707       0.13074842       0.60070123 
          0.18754143       0.12509912       0.40313355 
          0.06254143       0.12509912       0.33733950 
          0.19055484       0.13337250       0.66779823 
          0.06254812       0.00044451       0.53664824 
          0.18754143       0.00009912       0.46816616 
          0.06254143       0.00009912       0.27149669 
          0.13075611       0.00403275       0.70666115 
          0.06493132       0.37466156       0.60435488 
          0.18754143       0.37509912       0.40313355 
          0.06254143       0.37509912       0.33733950 
          0.19379615       0.36616441       0.66830491 
          0.06277305       0.25329901       0.53387154 
          0.18754143       0.25009912       0.46816616 
          0.06254143       0.25009912       0.27149669 
          0.22905678       0.24903523       0.73810331 
          0.06280768       0.62368832       0.60215498 
          0.18754143       0.62509912       0.40313355 
          0.06254143       0.62509912       0.33733950 
          0.19182679       0.62304094       0.66469736 
          0.06280827       0.49850358       0.53647559 
          0.18754143       0.50009912       0.46816616 
          0.06254143       0.50009912       0.27149669 
          0.25727600       0.49570982       0.70108239 
          0.06218528       0.86870552       0.59848742 
          0.18754143       0.87509912       0.40313355 
          0.06254143       0.87509912       0.33733950 
          0.18713029       0.87535915       0.66438646 
          0.06250159       0.74576452       0.53304813 
          0.18754143       0.75009912       0.46816616 
          0.06254143       0.75009912       0.27149669 
          0.25675200       0.74997052       0.70133873 
          0.31144394       0.11950040       0.59886393 
          0.43754143       0.12509912       0.40313355 
          0.31254143       0.12509912       0.33733950 
          0.43838563       0.12468031       0.66322208 
          0.31233500       0.00082547       0.53027887 
          0.43754143       0.00009912       0.46816616 
          0.31254143       0.00009912       0.27149669 
          0.49960402       0.99654910       0.70446884 
          0.31280931       0.37435388       0.59470291 
          0.43754143       0.37509912       0.40313355 
          0.31254143       0.37509912       0.33733950 
          0.43311933       0.38363358       0.66686052 
          0.31209519       0.24628500       0.53338088 
          0.43754143       0.25009912       0.46816616 
          0.31254143       0.25009912       0.27149669 
          0.37434346       0.25278313       0.70213652 
          0.31597228       0.62629017       0.59392150 
          0.43754143       0.62509912       0.40313355 
          0.31254143       0.62509912       0.33733950 
          0.43038414       0.62355414       0.66860700 
          0.31276652       0.50011142       0.53089208 
          0.43754143       0.50009912       0.46816616 
          0.31254143       0.50009912       0.27149669 
          0.40118087       0.50168875       0.73655128 
          0.31351070       0.88143749       0.59892086 
          0.43754143       0.87509912       0.40313355 
          0.31254143       0.87509912       0.33733950 
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          0.31254143       0.75009912       0.27149669 
          0.40135665       0.74807528       0.73370950 
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          0.68754143       0.87509912       0.40313355 
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          0.82095703       0.80828506       0.87402198 
          0.75254178       0.79100136       0.97741361 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      15.06   27.15
      16.28   29.24
   
        115.70992877 
      25568.53040423 
     -38130.83528341 
      -1214.39430312 
      11376.50626006 
      -9107.00841578 
          0.01195007 
       -424.04295830 
      13344.57217335 
       1529.04975587 
       1529.03780580 
       1529.04577252 
   
  
  
      11.06   17.37
      11.07   17.38
   
       -495.29573761 
       -495.30193725 
       -495.29780416 
   
  
  
      15.96   38.64
      15.98   38.71
   
       -665.99918983 
       -665.87757875 
       -665.95865280 
   
  
  
      12.91   36.17
      12.93   36.21
   
       -674.27581673 
       -674.13522790 
       -674.22895379 
   
  
  
      15.54   23.48
      15.76   26.52
   
       -674.49587611 
       -674.35354571 
       -674.44843264 
   
  
  
      12.28   18.40
      16.62   26.45
   
       -660.91101729 
       -660.81801352 
       -660.88001603 
   
  
  
      10.97   16.65
      18.29   28.32
   
       -657.26236881 
       -657.37669885 
       -657.30047882 
   
  
  
      10.44   26.71
      13.28   31.47
   
       -657.35306300 
       -657.30586466 
       -657.33733022 
   
  
  
      15.90   25.90
      18.99   29.75
   
       -657.09776259 
       -657.13745996 
       -657.11099505 
   
  
  
      11.77   17.57
      13.24   26.42
   
       -657.04163315 
       -657.07975358 
       -657.05433996 
   
  
  
      19.21   35.87
      22.16   41.44
   
       -657.02141463 
       -656.99808840 
       -657.01363922 
   
  
  
      10.15   17.30
      12.63   21.63
   
       -657.02338707 
       -657.03412489 
       -657.02696634 
   
  
  
      11.53   25.79
      12.97   30.69
   
       -657.01904151 
       -657.02506060 
       -657.02104787 
   
  
  
      14.34   37.78
      17.35   44.19
   
       -657.01730961 
       -657.01293068 
       -657.01584997 
   
  
  
       9.16   16.04
      10.61   18.96
   
       -657.01744136 
       -657.02126435 
       -657.01871569