vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2026 01 04 
  17:58:02 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000      0.77000000
        2.00000000
        0.00000000      0.00500000      0.00800000      0.00600000      1.29700000      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      0.00000000      0.00000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           14.00000000       0.00000000       0.00000000 
            0.00000000      12.00000000       0.00000000 
            0.00000000       0.00000000      12.00000000 
    
       2016.00000000 
    
            0.07142857       0.00000000       0.00000000 
            0.00000000       0.08333333       0.00000000 
            0.00000000       0.00000000       0.08333333 
    
   
   
           0.37987283       0.47474094       0.50637323 
           0.38818628       0.54386888       0.38779033 
           0.39162244       0.55585194       0.61609522 
           0.46964064       0.38865742       0.51794978 
           0.74969827       0.72065993       0.41538151 
           0.28463631       0.41861168       0.50887927 
           0.30982217       0.48929005       0.25147086 
           0.24360586       0.56792772       0.35055127 
           0.27776782       0.68074379       0.17958219 
           0.40293173       0.66046463       0.19911751 
           0.33648337       0.74016210       0.29752424 
           0.32910889       0.70875517       0.57996527 
           0.25144227       0.60910788       0.64317447 
           0.29996411       0.75668768       0.77948465 
           0.42269381       0.72238982       0.75831407 
           0.34450594       0.62381036       0.82176669 
           0.47677084       0.24004163       0.43049824 
           0.49250453       0.36208590       0.34778075 
           0.64998900       0.26615575       0.37722617 
           0.63750312       0.28540239       0.52588993 
           0.64933921       0.40543195       0.43691589 
           0.31346513       0.56181749       0.30807981 
           0.33391070       0.66707904       0.24231988 
           0.32522354       0.64234121       0.64370847 
           0.34959196       0.68900072       0.75765909 
           0.50964736       0.32397633       0.42898286 
           0.62008819       0.32548162       0.44219976 
   
  
  
           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 
  
 
 
  
          1        2        2 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       51
       -1
       -1
        68.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          0.00000000      0.00500000      0.00800000      0.00600000      1.29700000      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      0.00000000      0.00000000
          2.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000005
           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
   
  
  
       70
       60
       60
      140
      120
      120
    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      0.73000000      0.32000000      0.77000000
      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000     12.01100000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      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
        44.80000000
         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
      200
        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
  
  
    F  
  
 
 
        27 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    C    4
    C    4
    C    4
    C    4
    C    4
    C    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      16H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          14.00000000       0.00000000       0.00000000 
           0.00000000      12.00000000       0.00000000 
           0.00000000       0.00000000      12.00000000 
   
      2016.00000000 
   
           0.07142857       0.00000000       0.00000000 
           0.00000000       0.08333333       0.00000000 
           0.00000000       0.00000000       0.08333333 
   
  
  
          0.37987283       0.47474094       0.50637323 
          0.38818628       0.54386888       0.38779033 
          0.39162244       0.55585194       0.61609522 
          0.46964064       0.38865742       0.51794978 
          0.74969827       0.72065993       0.41538151 
          0.28463631       0.41861168       0.50887927 
          0.30982217       0.48929005       0.25147086 
          0.24360586       0.56792772       0.35055127 
          0.27776782       0.68074379       0.17958219 
          0.40293173       0.66046463       0.19911751 
          0.33648337       0.74016210       0.29752424 
          0.32910889       0.70875517       0.57996527 
          0.25144227       0.60910788       0.64317447 
          0.29996411       0.75668768       0.77948465 
          0.42269381       0.72238982       0.75831407 
          0.34450594       0.62381036       0.82176669 
          0.47677084       0.24004163       0.43049824 
          0.49250453       0.36208590       0.34778075 
          0.64998900       0.26615575       0.37722617 
          0.63750312       0.28540239       0.52588993 
          0.64933921       0.40543195       0.43691589 
          0.31346513       0.56181749       0.30807981 
          0.33391070       0.66707904       0.24231988 
          0.32522354       0.64234121       0.64370847 
          0.34959196       0.68900072       0.75765909 
          0.50964736       0.32397633       0.42898286 
          0.62008819       0.32548162       0.44219976 
  
 
 
  
       5.96    5.98
       8.84    8.86
   
          8.87949264 
       2677.59217001 
      -4883.29185666 
        216.32242966 
       2159.35668055 
      -2152.50834763 
          0.01786942 
       -466.06814265 
       2914.53999624 
        474.84029158 
        474.82242216 
        474.83433511 
   
  
  
       7.35    7.37
       7.35    7.37
   
          4.29913260 
          4.29966350 
          4.29930957 
   
  
  
       6.10    6.13
       6.11    6.13
   
       -148.09094469 
       -148.07393357 
       -148.08527432 
   
  
  
       6.32    6.35
       6.33    6.35
   
       -157.55022641 
       -157.49300131 
       -157.53115138 
   
  
  
       6.58    6.60
       6.83    6.85
   
       -157.78463501 
       -157.72736729 
       -157.76554577 
   
  
  
       5.90    5.93
       8.95    8.98
   
       -144.47515251 
       -144.40802245 
       -144.45277582 
   
  
  
       5.95    5.98
       8.50    8.53
   
       -143.11259543 
       -143.10647475 
       -143.11055521 
   
  
  
       5.49    5.52
       7.94    7.97
   
       -143.22093433 
       -143.23743697 
       -143.22643521 
   
  
  
       5.07    5.11
       7.29    7.33
   
       -143.20147278 
       -143.21804308 
       -143.20699622 
   
  
  
       5.20    5.27
       7.04    7.11
   
       -143.18260154 
       -143.21775247 
       -143.19431852 
   
  
  
       5.27    5.31
       6.97    7.01
   
       -143.17840920 
       -143.21230851 
       -143.18970897 
   
  
  
       5.06    5.09
       6.63    6.66
   
       -143.18731780 
       -143.17962377 
       -143.18475312 
   
  
  
       5.13    5.16
       6.78    6.82
   
       -143.16143996 
       -143.15872628 
       -143.16053540 
   
  
  
       4.91    4.94
       6.41    6.45
   
       -143.16591059 
       -143.16464933 
       -143.16549017 
   
  
  
       5.24    5.28
       7.03    7.06
   
       -143.17315639 
       -143.19782304 
       -143.18137861 
   
  
  
       5.09    5.14
       6.92    6.97
   
       -143.18797466 
       -143.20082267 
       -143.19225733 
   
  
  
       4.95    4.99
       6.84    6.87
   
       -143.19160290 
       -143.19993447 
       -143.19438009 
   
  
  
       5.09    5.16
       7.05    7.12
   
       -143.19222009 
       -143.21234062 
       -143.19892693 
   
  
  
       5.37    5.41
       7.02    7.06
   
       -143.19692650 
       -143.21797389 
       -143.20394230 
   
  
  
       5.03    5.07
       6.60    6.64
   
       -143.18804964 
       -143.20986832 
       -143.19532254 
   
  
  
       5.08    5.11
       6.85    6.88
   
       -143.18370772 
       -143.20796311 
       -143.19179285 
   
  
  
       5.06    5.10
       6.94    6.98
   
       -143.18322851 
       -143.20971472 
       -143.19205725 
   
  
  
       4.85    4.89
       6.63    6.67
   
       -143.17857460 
       -143.20884261 
       -143.18866394 
   
  
  
       5.33    5.36
       6.78    6.81
   
       -143.18827789 
       -143.21779965 
       -143.19811848 
   
  
  
       5.02    5.07
       6.64    6.69
   
       -143.19028828 
       -143.21776688 
       -143.19944781 
   
  
  
       5.19    5.23
       6.67    6.71
   
       -143.19261816 
       -143.21860198 
       -143.20127943 
   
  
  
       5.15    5.18
       6.95    6.98
   
       -143.18857333 
       -143.21632040 
       -143.19782235 
   
  
  
       5.07    5.10
       6.93    6.96
   
       -143.20339622 
       -143.22907357 
       -143.21195534 
   
  
  
       4.94    4.98
       6.28    6.33
   
       -143.19942377 
       -143.22330937 
       -143.20738564 
   
  
  
       5.03    5.08
       6.54    6.59
   
       -143.19404807 
       -143.21551888 
       -143.20120500 
   
  
  
       5.20    5.25
       7.08    7.12
   
       -143.20547236 
       -143.22584746 
       -143.21226406 
   
  
  
       5.29    5.35
       7.29    7.35
   
       -143.20565515 
       -143.22811593 
       -143.21314207 
   
  
  
       4.68    4.72
       6.64    6.68
   
       -143.20574751 
       -143.22951569 
       -143.21367023 
   
  
  
       4.41    4.45
       6.31    6.35
   
       -143.20359736 
       -143.22761784 
       -143.21160419 
   
  
  
       4.86    4.92
       7.18    7.24
   
       -143.17663066 
       -143.20438138 
       -143.18588090 
   
  
  
       5.07    5.10
       7.15    7.19
   
       -143.17466756 
       -143.20625775 
       -143.18519763 
   
  
  
       4.98    5.02
       7.05    7.10
   
       -143.20264085 
       -143.23568375 
       -143.21365515 
   
  
  
       4.69    4.75
       6.53    6.59
   
       -143.20750406 
       -143.23959618 
       -143.21820143 
   
  
  
       4.37    4.42
       6.19    6.24
   
       -143.20763796 
       -143.23948899 
       -143.21825497 
   
  
  
       4.28    4.33
       6.01    6.06
   
       -143.20756647 
       -143.23927981 
       -143.21813758 
   
  
  
       5.12    5.16
       7.04    7.08
   
       -143.20767237 
       -143.23934884 
       -143.21823119 
   
  
  
       4.92    4.95
       6.49    6.52
   
       -143.20758755 
       -143.23907065 
       -143.21808191 
   
  
  
       5.02    5.07
       6.71    6.76
   
       -143.20570852 
       -143.23897758 
       -143.21679821 
   
  
  
       4.79    4.85
       6.41    6.47
   
       -143.20132852 
       -143.23372667 
       -143.21212790 
   
  
  
       4.01    4.06
       6.00    6.05
   
       -143.20294531 
       -143.23599332 
       -143.21396131 
   
  
  
       3.97    4.01
       6.88    6.93
   
       -143.19672328 
       -143.23049396 
       -143.20798017 
   
  
  
       3.93    3.98
       6.25    6.30
   
       -143.20549171 
       -143.23849453 
       -143.21649265 
   
  
  
       3.67    3.71
       5.13    5.17
   
       -143.20366108 
       -143.23597431 
       -143.21443215 
   
  
  
       4.13    4.17
       5.68    5.73
   
       -143.20390072 
       -143.23629442 
       -143.21469862 
   
  
  
       3.76    3.79
       5.61    5.64
   
       -143.19586263 
       -143.22732491 
       -143.20635006 
   
  
  
       3.96    4.02
       5.69    5.74
   
       -143.19857781 
       -143.22843608 
       -143.20853056 
   
  
  
       4.18    4.21
       6.00    6.03
   
       -143.20368771 
       -143.23114307 
       -143.21283950 
   
  
  
       4.16    4.19
       6.02    6.05
   
       -143.20441148 
       -143.23205708 
       -143.21362668 
   
  
  
       4.17    4.20
       5.96    5.99
   
       -143.20576404 
       -143.23330489 
       -143.21494432 
   
  
  
       4.00    4.03
       5.52    5.55
   
       -143.20647731 
       -143.23372522 
       -143.21555994 
   
  
  
       4.04    4.08
       5.43    5.47
   
       -143.20387728 
       -143.23168318 
       -143.21314591 
   
  
  
       3.98    4.03
       5.44    5.50
   
       -143.20605522 
       -143.23230136 
       -143.21480393 
   
  
  
       4.00    4.05
       5.48    5.53
   
       -143.20671089 
       -143.23269757 
       -143.21537312 
   
  
  
       3.66    3.69
       5.19    5.22
   
       -143.20707786 
       -143.23204849 
       -143.21540141 
   
  
  
       3.26    3.31
       5.40    5.44
   
       -143.20752373 
       -143.23252516 
       -143.21585754 
   
  
  
       3.19    3.24
       4.95    5.00
   
       -143.20761166 
       -143.23205734 
       -143.21576022 
   
  
  
       3.20    3.23
       4.67    4.70
   
       -143.20772452 
       -143.23146979 
       -143.21563961 
   
  
  
       3.31    3.35
       5.20    5.24
   
       -143.20600629 
       -143.22950761 
       -143.21384007 
   
  
  
       3.65    3.68
       5.13    5.17
   
       -143.20675183 
       -143.23071400 
       -143.21473922 
   
  
  
       3.45    3.49
       4.87    4.92
   
       -143.20775266 
       -143.23160936 
       -143.21570490 
   
  
  
       3.24    3.27
       5.30    5.33
   
       -143.20659111 
       -143.22921527 
       -143.21413250 
   
  
  
       3.30    3.33
       4.99    5.02
   
       -143.20551668 
       -143.22737099 
       -143.21280145 
   
  
  
       3.22    3.25
       4.87    4.90
   
       -143.20771574 
       -143.22831573 
       -143.21458240 
   
  
  
       3.27    3.29
       5.10    5.12
   
       -143.20798699 
       -143.22810351 
       -143.21469250 
   
  
  
       3.09    3.12
       4.81    4.84
   
       -143.20759288 
       -143.22759620 
       -143.21426065 
   
  
  
       2.76    2.78
       4.33    4.35
   
       -143.20795001 
       -143.22913640 
       -143.21501214 
   
  
  
       2.50    2.52
       3.98    4.01
   
       -143.20829579 
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       2.92    2.95
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       3.22    3.25
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       2.98    3.00
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       2.44    2.47
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       2.26    2.29
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       2.31    2.33
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       2.31    2.33
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       2.32    2.34
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       1.99    2.01
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       2.46    2.48
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       1.73    1.75
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       1.52    1.54
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       1.40    1.42
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       1.57    1.59
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       1.62    1.64
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       1.68    1.70
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       1.97    1.99
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       1.48    1.51
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       1.42    1.44
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       1.47    1.49
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       1.61    1.63
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       1.44    1.46
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       1.39    1.41
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       1.49    1.51
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       0.98    0.99
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       0.89    0.91
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       0.81    0.83
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       0.82    0.84
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       0.77    0.79
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       0.86    0.88
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       0.85    0.87
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       0.87    0.89
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       0.86    0.88
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       0.87    0.88
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       0.89    0.91
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       0.84    0.86
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       0.81    0.82
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