vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 09 
  20:48:45 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000       5.41863000 
    
       1051.63255568 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.18454849 
    
   
   
           0.92869440       0.92846941       0.88395399 
           0.66494540       0.16386418       0.59556391 
           0.62381538       0.00046728       0.89794483 
           0.93437179       0.74805056       0.44012303 
           0.92986143       0.56573520       0.48579673 
           0.36453878       0.01573100       0.90603879 
           0.60140277       0.33818310       0.33164212 
           0.89745271       0.30703539       0.52638828 
           0.55526483       0.20191400       0.93926206 
           0.02816167       0.47646650       0.70365907 
           0.60277337       0.90044244       0.69697935 
           0.71805166       0.24357691       0.77975744 
           0.15304870       0.31571169       0.05037150 
           0.12797999       0.11531131       0.99403708 
           0.58565366       0.75739008       0.37126529 
           0.27220722       0.93056059       0.42713477 
           0.56288693       0.76825443       0.66058586 
           0.28256388       0.37358867       0.18642358 
           0.32617939       0.20936301       0.22134148 
           0.65894534       0.01305883       0.21251330 
           0.31031843       0.55918961       0.49810297 
           0.79102294       0.94082464       0.96001679 
           0.55790291       0.81563747       0.30068721 
           0.80663450       0.46145563       0.33922082 
           0.76762250       0.92626938       0.00712867 
           0.90643957       0.76822533       0.48928552 
           0.79994651       0.08048436       0.28643863 
           0.37498077       0.20120828       0.31729382 
           0.44854014       0.58201227       0.10999452 
           0.17797538       0.25056285       0.89458453 
           0.42746497       0.91817560       0.88954561 
           0.45056552       0.11895040       0.56504127 
           0.26346019       0.18019530       0.61653110 
           0.28079357       0.53940139       0.00344428 
           0.54213844       0.59155057       0.29254047 
           0.89191348       0.31623920       0.68584308 
           0.18283204       0.36489497       0.48127326 
           0.19458377       0.82736890       0.04537503 
           0.42780794       0.40893954       0.75661535 
           0.03435750       0.47431616       0.62486080 
           0.57530067       0.87271312       0.03198670 
           0.41287766       0.54788227       0.64160397 
           0.86331218       0.81871651       0.75026318 
           0.64739956       0.97502610       0.68292020 
   
  
  
           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 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
          44 
  
 
 
  
          2        1        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.33333333 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.33333333 
          0.50000000       0.00000000       0.33333333 
  
  
          0.16666667 
          0.16666667 
          0.33333333 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      108
       -1
       -1
       168.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -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
     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
           0.00000002
           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
   
  
  
       40
      126
       28
       80
      252
       56
    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      0.77000000      0.32000000      0.72000000
      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     16.00000000     12.01100000      1.00000000     18.99800000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
        14.34044394
         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  
  
 
 
        44 
         5 
  
   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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      25Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       9H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000       5.41863000 
   
      1051.63255568 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.18454849 
   
  
  
          0.92869440       0.92846941       0.88395399 
          0.66494540       0.16386418       0.59556391 
          0.62381538       0.00046728       0.89794483 
          0.93437179       0.74805056       0.44012303 
          0.92986143       0.56573520       0.48579673 
          0.36453878       0.01573100       0.90603879 
          0.60140277       0.33818310       0.33164212 
          0.89745271       0.30703539       0.52638828 
          0.55526483       0.20191400       0.93926206 
          0.02816167       0.47646650       0.70365907 
          0.60277337       0.90044244       0.69697935 
          0.71805166       0.24357691       0.77975744 
          0.15304870       0.31571169       0.05037150 
          0.12797999       0.11531131       0.99403708 
          0.58565366       0.75739008       0.37126529 
          0.27220722       0.93056059       0.42713477 
          0.56288693       0.76825443       0.66058586 
          0.28256388       0.37358867       0.18642358 
          0.32617939       0.20936301       0.22134148 
          0.65894534       0.01305883       0.21251330 
          0.31031843       0.55918961       0.49810297 
          0.79102294       0.94082464       0.96001679 
          0.55790291       0.81563747       0.30068721 
          0.80663450       0.46145563       0.33922082 
          0.76762250       0.92626938       0.00712867 
          0.90643957       0.76822533       0.48928552 
          0.79994651       0.08048436       0.28643863 
          0.37498077       0.20120828       0.31729382 
          0.44854014       0.58201227       0.10999452 
          0.17797538       0.25056285       0.89458453 
          0.42746497       0.91817560       0.88954561 
          0.45056552       0.11895040       0.56504127 
          0.26346019       0.18019530       0.61653110 
          0.28079357       0.53940139       0.00344428 
          0.54213844       0.59155057       0.29254047 
          0.89191348       0.31623920       0.68584308 
          0.18283204       0.36489497       0.48127326 
          0.19458377       0.82736890       0.04537503 
          0.42780794       0.40893954       0.75661535 
          0.03435750       0.47431616       0.62486080 
          0.57530067       0.87271312       0.03198670 
          0.41287766       0.54788227       0.64160397 
          0.86331218       0.81871651       0.75026318 
          0.64739956       0.97502610       0.68292020 
  
 
 
  
       3.86    3.97
       3.98    4.08
   
         74.00007382 
       1222.70990818 
      -6765.38035711 
         41.93360778 
       5642.42690935 
      -5222.73511433 
         -0.02014178 
       -234.01755527 
       6953.63384995 
       1712.55118058 
       1712.57132236 
       1712.55789451 
   
  
  
       9.22    9.23
       9.22    9.23
   
        602.49580338 
        602.49367658 
        602.49509444 
   
  
  
       9.47    9.47
       9.47    9.47
   
        387.40641192 
        387.43354811 
        387.41545731 
   
  
  
       8.76    8.77
       8.76    8.77
   
        375.00638183 
        375.04775218 
        375.02017194 
   
  
  
       9.05    9.06
       9.08    9.09
   
        374.64243091 
        374.68352142 
        374.65612774 
   
  
  
      10.25   10.26
      10.40   10.40
   
        357.19836862 
        357.18101288 
        357.19258337 
   
  
  
      11.17   11.18
      11.32   11.33
   
      -1945.19432549 
      -1945.19135956 
      -1945.19333685 
   
  
  
       9.30    9.30
       9.44    9.45
   
        378.56049569 
        378.56187419 
        378.56095519 
   
  
  
       8.85    8.85
       8.99    9.00
   
        358.80316782 
        358.79076720 
        358.79903428 
   
  
  
       8.79    8.79
       8.93    8.94
   
        337.51837006 
        337.50207808 
        337.51293940 
   
  
  
       7.90    7.90
       8.04    8.05
   
        404.90837170 
        404.94146438 
        404.91940260 
   
  
  
       8.42    8.42
       8.58    8.58
   
        359.72364621 
        359.73776036 
        359.72835093 
   
  
  
       7.79    7.80
       7.95    7.95
   
        357.32978367 
        357.33938307 
        357.33298347 
   
  
  
       8.45    8.45
       8.61    8.61
   
        346.05271886 
        346.08183545 
        346.06242439 
   
  
  
       8.09    8.09
       8.24    8.24
   
        414.67283257 
        414.69674908 
        414.68080474 
   
  
  
      10.18   10.18
      10.34   10.34
   
        432.40375829 
        432.40212306 
        432.40321322 
   
  
  
       8.57    8.58
       8.72    8.73
   
        439.12200117 
        439.09579053 
        439.11326429 
   
  
  
       9.64    9.64
       9.80    9.81
   
        326.47843958 
        326.48377668 
        326.48021862 
   
  
  
       8.59    8.59
       8.74    8.74
   
        373.38298759 
        373.39674597 
        373.38757371 
   
  
  
       9.41    9.41
       9.56    9.56
   
        417.29894625 
        417.28150221 
        417.29313157 
   
  
  
       8.94    8.94
       9.09    9.09
   
        432.43035908 
        432.42584267 
        432.42885361 
   
  
  
       9.61    9.62
       9.76    9.77
   
        440.73244295 
        440.73578434 
        440.73355674 
   
  
  
       9.14    9.14
       9.29    9.29
   
        447.62515673 
        447.58980850 
        447.61337399 
   
  
  
       8.20    8.21
       8.37    8.37
   
        454.39508128 
        454.37549832 
        454.38855363 
   
  
  
       8.33    8.33
       8.48    8.49
   
        455.12673702 
        455.09432112 
        455.11593172 
   
  
  
       6.50    6.51
       6.65    6.66
   
        456.28891831 
        456.30273741 
        456.29352468 
   
  
  
       6.58    6.59
       6.73    6.74
   
        457.58816381 
        457.61288024 
        457.59640262 
   
  
  
       6.17    6.18
       6.32    6.32
   
        458.08294813 
        458.09518118 
        458.08702582 
   
  
  
       6.60    6.60
       6.74    6.74
   
        461.34437361 
        461.31020262 
        461.33298328 
   
  
  
       5.40    5.40
       5.55    5.55
   
        460.84375346 
        460.81209297 
        460.83319996 
   
  
  
       5.60    5.60
       5.77    5.78
   
        461.05634514 
        461.05644946 
        461.05637992 
   
  
  
       4.79    4.80
       4.94    4.95
   
        461.61669108 
        461.60057431 
        461.61131883 
   
  
  
       3.91    3.97
       4.07    4.13
   
        465.06580678 
        465.03934903 
        465.05698753 
   
  
  
       3.73    3.73
       3.89    3.89
   
        465.16032652 
        465.13087880 
        465.15051062 
   
  
  
       4.00    4.00
       4.14    4.15
   
        465.48554900 
        465.49437568 
        465.48849123 
   
  
  
       2.56    2.57
       2.71    2.72
   
        465.60193612 
        465.61119649 
        465.60502291 
   
  
  
       3.07    3.08
       3.22    3.23
   
        465.39772261 
        465.40827166 
        465.40123896 
   
  
  
       2.64    2.65
       2.79    2.80
   
        465.05797371 
        465.06948741 
        465.06181161 
   
  
  
       1.78    1.78
       1.94    1.94
   
        469.38905135 
        469.39487008 
        469.39099093 
   
  
  
       1.44    1.45
       1.60    1.60
   
        472.94972647 
        472.98771734 
        472.96239010 
   
  
  
       1.60    1.61
       1.75    1.76
   
        473.36942266 
        473.36694753 
        473.36859761 
   
  
  
       1.43    1.43
       1.59    1.59
   
        475.62546410 
        475.61368090 
        475.62153637 
   
  
  
       1.69    1.70
       1.84    1.85
   
        475.02547465 
        475.00889683 
        475.01994871 
   
  
  
       1.70    1.71
       1.86    1.86
   
        476.43664051 
        476.47285577 
        476.44871226 
   
  
  
       1.56    1.56
       1.72    1.72
   
        477.85555159 
        477.89146706 
        477.86752341 
   
  
  
       1.48    1.49
       1.63    1.64
   
        479.09393470 
        479.13981062 
        479.10922667 
   
  
  
       1.11    1.11
       1.26    1.27
   
        484.17056433 
        484.19977041 
        484.18029969 
   
  
  
       0.64    0.65
       0.79    0.80
   
        484.58725176 
        484.62786943 
        484.60079098 
   
  
  
       0.73    0.83
       0.89    0.98
   
        485.62723331 
        485.66596883 
        485.64014515 
   
  
  
       0.63    0.64
       0.78    0.79
   
        485.68076763 
        485.72040236 
        485.69397920 
   
  
  
       0.66    0.67
       0.81    0.82
   
        425.71606360 
        425.71270428 
        425.71494383 
   
  
  
       0.65    0.65
       0.80    0.80
   
        427.02475136 
        427.05270718 
        427.03406996 
   
  
  
       0.55    0.55
       0.71    0.71
   
        437.50050665 
        437.53795622 
        437.51298984 
   
  
  
       0.60    0.61
       0.75    0.76
   
        428.27230225 
        428.30126586 
        428.28195679 
   
  
  
       0.63    0.63
       0.78    0.78
   
        426.80086755 
        426.82973095 
        426.81048868 
   
  
  
       0.71    0.71
       0.86    0.86
   
        402.33893743 
        402.33160072 
        402.33649186 
   
  
  
       0.82    0.82
       0.97    0.98
   
      -3747.83562306 
      -3747.84261036 
      -3747.83795216 
   
  
  
       0.66    0.67
       0.82    0.82
   
        408.43521564 
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