vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 22 
  16:26:27 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.82000000      0.32000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           11.20000000       0.00000000       0.00000000 
            0.00000000      11.20000000       0.00000000 
            0.00000000       0.00000000      32.40000000 
    
       4064.25600000 
    
            0.08928571       0.00000000       0.00000000 
            0.00000000       0.08928571       0.00000000 
            0.00000000       0.00000000       0.03086420 
    
   
   
           0.35310820       0.31829671       0.62396414 
           0.08454630       0.34679208       0.59025305 
           0.11357508       0.23333091       0.95968889 
           0.25048743       0.14120585       0.41471874 
           0.02072202       0.88589411       0.04129326 
           0.14156461       0.46307653       0.82615127 
           0.61052048       0.21467735       0.60570911 
           0.79330936       0.66456232       0.15205882 
           0.87828604       0.37468239       0.12267614 
           0.94819999       0.17149024       0.42320702 
           0.71498055       0.89945313       0.99864137 
           0.98991978       0.09229903       0.81894287 
           0.86513925       0.59107263       0.41060640 
           0.34067300       0.08116695       0.37574675 
           0.27822668       0.24840719       0.85413676 
           0.60628675       0.81845205       0.32944630 
           0.57338416       0.07811103       0.35850833 
           0.93089375       0.00961582       0.06139174 
           0.41997007       0.61090790       0.53073508 
           0.66469262       0.95311853       0.96227712 
           0.15193173       0.65981672       0.38419398 
           0.94407965       0.68953978       0.91618842 
           0.17640303       0.59436567       0.16918808 
           0.12395696       0.31551147       0.26909183 
           0.80442695       0.91533774       0.32758867 
           0.32299859       0.78267149       0.87886042 
           0.78490519       0.54978286       0.45678071 
           0.83888321       0.78783529       0.24440152 
           0.80221286       0.12431146       0.47031580 
           0.05259962       0.58730832       0.14001832 
           0.41046489       0.20589707       0.96411891 
           0.78871818       0.71393061       0.89936205 
           0.83136829       0.43185675       0.80868745 
           0.06421602       0.26565687       0.75380511 
           0.34189324       0.57573023       0.09081615 
           0.27581855       0.99243610       0.53878503 
           0.43884099       0.53617777       0.62852889 
           0.23232113       0.44824935       0.85023266 
           0.84643674       0.72601075       0.09420929 
           0.65620641       0.24251857       0.04971361 
           0.76777936       0.47548570       0.45009839 
           0.50858890       0.31822293       0.84586626 
           0.44432035       0.30157355       0.66576675 
           0.51229920       0.93108480       0.10380759 
           0.37532180       0.49634660       0.73781974 
           0.41629270       0.52341377       0.68813929 
           0.73912064       0.27249676       0.07825541 
           0.77152937       0.21418462       0.38963131 
           0.63339607       0.41642029       0.05093171 
           0.50051022       0.73144526       0.86227220 
           0.80786104       0.94258019       0.15410733 
           0.87088803       0.03037428       0.00509185 
           0.26395551       0.15202062       0.96514705 
           0.17005869       0.69289736       0.19553614 
           0.29460929       0.66005635       0.91313760 
           0.72116009       0.29415287       0.38873744 
           0.32558401       0.42466395       0.58842692 
           0.25566663       0.21087834       0.73509514 
           0.05622991       0.24467447       0.52483261 
           0.42763483       0.99615560       0.73581053 
           0.49131632       0.20464988       0.80745888 
           0.02518490       0.09328206       0.77781872 
           0.95323276       0.98639998       0.16442961 
           0.90132958       0.28883363       0.05425112 
           0.28425509       0.79577665       0.87216823 
           0.98182352       0.50265219       0.88450540 
           0.54103798       0.28219061       0.40081609 
           0.55856309       0.84455703       0.11364622 
           0.28045691       0.81505346       0.68375666 
           0.14306169       0.34925797       0.71828733 
           0.81678228       0.51995148       0.14064976 
           0.39722066       0.74164606       0.84876618 
           0.45441649       0.08326045       0.33064162 
           0.68915215       0.41477217       0.40990152 
           0.09546053       0.73050692       0.59131759 
           0.71182733       0.50270096       0.96085704 
           0.37741851       0.85330961       0.02349251 
           0.13578159       0.25317339       0.96634294 
           0.37870866       0.74135165       0.53089850 
           0.46592029       0.62676871       0.15587732 
           0.95862126       0.80327212       0.37960404 
           0.19463433       0.77201906       0.96816575 
           0.15285995       0.28166921       0.56296749 
           0.62312125       0.98884810       0.03460966 
           0.29331355       0.15798535       0.61165972 
           0.89101407       0.91841025       0.21994354 
           0.76633876       0.09639186       0.94662843 
           0.91145665       0.65109429       0.29575805 
           0.86534428       0.69526190       0.67524173 
           0.01325283       0.36451441       0.76424318 
           0.40490610       0.20945796       0.10630091 
           0.10416046       0.49320166       0.63781554 
           0.05493067       0.21392335       0.04976971 
           0.43211351       0.65523318       0.60846480 
           0.05753066       0.33808442       0.05308935 
           0.40730655       0.15517405       0.21307581 
           0.45994232       0.10766087       0.75735578 
           0.17140403       0.78560915       0.46628243 
           0.04136678       0.18312893       0.26616481 
           0.37472555       0.53859783       0.60851722 
           0.48672284       0.57942238       0.96019972 
           0.00171270       0.34755373       0.94138202 
           0.99814104       0.39037388       0.60433594 
           0.27546036       0.87966147       0.68842978 
           0.70068105       0.52925888       0.57380996 
           0.27660080       0.51826924       0.90837047 
           0.42639016       0.39719524       0.87603081 
           0.60956599       0.78907479       0.59569963 
           0.10332643       0.15961872       0.71347662 
           0.01838859       0.52829330       0.78569940 
           0.76814316       0.67889306       0.85643423 
           0.36136078       0.35549560       0.03345358 
           0.80107123       0.44692893       0.42419479 
           0.64577535       0.90751245       0.70783495 
           0.57692491       0.57929765       0.08553924 
           0.18565096       0.06179831       0.30615150 
           0.00953503       0.04810504       0.67421007 
           0.33940016       0.43057203       0.47229648 
           0.83587130       0.39446112       0.86010735 
           0.63777576       0.84517753       0.45450665 
           0.39925205       0.31688164       0.27475255 
           0.99999236       0.17649256       0.26699799 
           0.50793389       0.72291453       0.22755008 
           0.85496120       0.12157973       0.67925850 
           0.14111557       0.97623080       0.52334024 
           0.27320280       0.13401845       0.05411184 
           0.06460062       0.88068700       0.06935444 
           0.41373616       0.06222519       0.31718339 
           0.52248575       0.24829787       0.65712451 
           0.77459702       0.11781454       0.00203771 
           0.33615909       0.83543582       0.82186590 
           0.94245049       0.84132549       0.94830852 
           0.30258162       0.25976114       0.26032080 
           0.35175140       0.92218981       0.68945712 
           0.78454296       0.40637162       0.74849126 
   
  
  
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         133 
         134 
         135 
  
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         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       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      392
       -1
       -1
       648.00000000
        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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      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
        400.00000000
    
      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
   
  
  
       56
       56
      160
      112
      112
      320
    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      0.82000000      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     10.81100000      1.00000000     12.01100000
         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
        18.06336000
         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
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       135 
         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
    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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    B    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    C    5
    C    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      35Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      80O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
      17H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       2C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
          11.20000000       0.00000000       0.00000000 
           0.00000000      11.20000000       0.00000000 
           0.00000000       0.00000000      32.40000000 
   
      4064.25600000 
   
           0.08928571       0.00000000       0.00000000 
           0.00000000       0.08928571       0.00000000 
           0.00000000       0.00000000       0.03086420 
   
  
  
          0.35310820       0.31829671       0.62396414 
          0.08454630       0.34679208       0.59025305 
          0.11357508       0.23333091       0.95968889 
          0.25048743       0.14120585       0.41471874 
          0.02072202       0.88589411       0.04129326 
          0.14156461       0.46307653       0.82615127 
          0.61052048       0.21467735       0.60570911 
          0.79330936       0.66456232       0.15205882 
          0.87828604       0.37468239       0.12267614 
          0.94819999       0.17149024       0.42320702 
          0.71498055       0.89945313       0.99864137 
          0.98991978       0.09229903       0.81894287 
          0.86513925       0.59107263       0.41060640 
          0.34067300       0.08116695       0.37574675 
          0.27822668       0.24840719       0.85413676 
          0.60628675       0.81845205       0.32944630 
          0.57338416       0.07811103       0.35850833 
          0.93089375       0.00961582       0.06139174 
          0.41997007       0.61090790       0.53073508 
          0.66469262       0.95311853       0.96227712 
          0.15193173       0.65981672       0.38419398 
          0.94407965       0.68953978       0.91618842 
          0.17640303       0.59436567       0.16918808 
          0.12395696       0.31551147       0.26909183 
          0.80442695       0.91533774       0.32758867 
          0.32299859       0.78267149       0.87886042 
          0.78490519       0.54978286       0.45678071 
          0.83888321       0.78783529       0.24440152 
          0.80221286       0.12431146       0.47031580 
          0.05259962       0.58730832       0.14001832 
          0.41046489       0.20589707       0.96411891 
          0.78871818       0.71393061       0.89936205 
          0.83136829       0.43185675       0.80868745 
          0.06421602       0.26565687       0.75380511 
          0.34189324       0.57573023       0.09081615 
          0.27581855       0.99243610       0.53878503 
          0.43884099       0.53617777       0.62852889 
          0.23232113       0.44824935       0.85023266 
          0.84643674       0.72601075       0.09420929 
          0.65620641       0.24251857       0.04971361 
          0.76777936       0.47548570       0.45009839 
          0.50858890       0.31822293       0.84586626 
          0.44432035       0.30157355       0.66576675 
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          0.78454296       0.40637162       0.74849126 
  
 
 
  
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         71.90450366 
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      49.98   49.98
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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    **************** 
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      41.59   41.59
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    **************** 
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      51.57   51.58
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    **************** 
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    **************** 
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      40.47   40.47
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    **************** 
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      41.87   41.87
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    **************** 
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      43.65   43.66
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    **************** 
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      42.20   42.20
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    **************** 
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      40.87   40.87
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    **************** 
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    **************** 
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      40.59   40.59
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    **************** 
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      67.46   67.47
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    **************** 
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        359.16747114 
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    **************** 
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    **************** 
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    **************** 
    **************** 
    ****************