vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  23:06:08 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.99000000      0.32000000      0.75000000
       -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.10600000      0.00400000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.97326808       0.45961554       0.16393031 
           0.26563627       0.70864514       0.85017539 
           0.06382453       0.47787789       0.24601189 
           0.83040099       0.73696498       0.35269712 
           0.00635044       0.23882474       0.43130394 
           0.25635044       0.23882474       0.31631854 
           0.00635044       0.31174210       0.06192108 
           0.25635044       0.31174210       0.18570140 
           0.00635044       0.38824623       0.43553353 
           0.25635044       0.38824623       0.31208895 
           0.76428003       0.46720939       0.62762441 
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           0.03257683       0.42754484       0.60357868 
           0.90876106       0.21706849       0.87657690 
           0.25635044       0.23882474       0.81631854 
           0.00635044       0.31174210       0.56192108 
           0.25635044       0.31174210       0.68570140 
           0.00635044       0.38824623       0.93553353 
           0.25635044       0.38824623       0.81208895 
           0.37618143       0.46648556       0.15423854 
           0.18626041       0.63965320       0.90688801 
           0.65696029       0.36635443       0.16044773 
           0.69030759       0.46749666       0.13935314 
           0.50635044       0.23882474       0.43130394 
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           0.75635044       0.31174210       0.18570140 
           0.50635044       0.38824623       0.43553353 
           0.75635044       0.38824623       0.31208895 
           0.31857871       0.33864836       0.83003501 
           0.33310370       0.47640521       0.13886539 
           0.53182958       0.45160371       0.60343038 
           0.52229231       0.42293481       0.74908483 
           0.50635044       0.23882474       0.93130394 
           0.75635044       0.23882474       0.81631854 
           0.75635044       0.31174210       0.68570140 
           0.50635044       0.38824623       0.93553353 
           0.75635044       0.38824623       0.81208895 
           0.11771044       0.39664508       0.83944309 
           0.76295051       0.61446289       0.35688082 
           0.08176578       0.47241172       0.15749151 
           0.60734650       0.62328152       0.48439742 
           0.81627739       0.87945921       0.80689945 
           0.45018087       0.21197422       0.21862672 
           0.99640878       0.65093141       0.18084253 
           0.17136924       0.59423777       0.20180598 
           0.04739381       0.58300496       0.94706022 
           0.53682860       0.47802438       0.17808351 
           0.81811012       0.16313060       0.56085944 
           0.21172993       0.08241010       0.32571862 
           0.09100550       0.15616608       0.04744950 
           0.34966407       0.06344233       0.26470705 
           0.48065699       0.18670341       0.04075600 
           0.50086642       0.10709731       0.86543115 
           0.17511712       0.72556269       0.75147449 
           0.38003129       0.46697251       0.62785696 
           0.70770811       0.70353482       0.46096972 
           0.76159364       0.79578240       0.15339482 
           0.45180270       0.64300702       0.28518191 
           0.35946428       0.52907050       0.80398188 
           0.51651421       0.61075825       0.69151812 
           0.68339915       0.40656392       0.06146200 
           0.27321899       0.34705885       0.87233231 
           0.01107898       0.39170481       0.11033173 
           0.46388378       0.37847636       0.04238562 
           0.65199236       0.37896740       0.04301812 
           0.09540708       0.80106667       0.37447800 
           0.65492606       0.14416782       0.44231472 
           0.12864381       0.00806370       0.42015995 
           0.93440449       0.18638282       0.96893964 
           0.05781422       0.17971140       0.27471306 
           0.27864643       0.13916378       0.03975050 
           0.63154859       0.13834632       0.77863478 
           0.11559019       0.25957942       0.33269621 
           0.67641501       0.13715575       0.30756341 
   
  
  
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          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          3        1        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       10
      189
       -1
       -1
       299.00000000
        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
   
   
         2
     F  
         -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.10600000      0.00400000
         -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
   
  
  
       40
      126
       54
       80
      252
      108
    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      0.99000000      0.32000000      0.75000000
      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     35.45300000      1.00000000     14.00100000
         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
        16.82612089
         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  
  
 
 
        75 
         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
    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
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    Cl   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
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       5Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.97326808       0.45961554       0.16393031 
          0.26563627       0.70864514       0.85017539 
          0.06382453       0.47787789       0.24601189 
          0.83040099       0.73696498       0.35269712 
          0.00635044       0.23882474       0.43130394 
          0.25635044       0.23882474       0.31631854 
          0.00635044       0.31174210       0.06192108 
          0.25635044       0.31174210       0.18570140 
          0.00635044       0.38824623       0.43553353 
          0.25635044       0.38824623       0.31208895 
          0.76428003       0.46720939       0.62762441 
          0.77346658       0.53692818       0.34790103 
          0.03257683       0.42754484       0.60357868 
          0.90876106       0.21706849       0.87657690 
          0.25635044       0.23882474       0.81631854 
          0.00635044       0.31174210       0.56192108 
          0.25635044       0.31174210       0.68570140 
          0.00635044       0.38824623       0.93553353 
          0.25635044       0.38824623       0.81208895 
          0.37618143       0.46648556       0.15423854 
          0.18626041       0.63965320       0.90688801 
          0.65696029       0.36635443       0.16044773 
          0.69030759       0.46749666       0.13935314 
          0.50635044       0.23882474       0.43130394 
          0.75635044       0.23882474       0.31631854 
          0.50635044       0.31174210       0.06192108 
          0.75635044       0.31174210       0.18570140 
          0.50635044       0.38824623       0.43553353 
          0.75635044       0.38824623       0.31208895 
          0.31857871       0.33864836       0.83003501 
          0.33310370       0.47640521       0.13886539 
          0.53182958       0.45160371       0.60343038 
          0.52229231       0.42293481       0.74908483 
          0.50635044       0.23882474       0.93130394 
          0.75635044       0.23882474       0.81631854 
          0.75635044       0.31174210       0.68570140 
          0.50635044       0.38824623       0.93553353 
          0.75635044       0.38824623       0.81208895 
          0.11771044       0.39664508       0.83944309 
          0.76295051       0.61446289       0.35688082 
          0.08176578       0.47241172       0.15749151 
          0.60734650       0.62328152       0.48439742 
          0.81627739       0.87945921       0.80689945 
          0.45018087       0.21197422       0.21862672 
          0.99640878       0.65093141       0.18084253 
          0.17136924       0.59423777       0.20180598 
          0.04739381       0.58300496       0.94706022 
          0.53682860       0.47802438       0.17808351 
          0.81811012       0.16313060       0.56085944 
          0.21172993       0.08241010       0.32571862 
          0.09100550       0.15616608       0.04744950 
          0.34966407       0.06344233       0.26470705 
          0.48065699       0.18670341       0.04075600 
          0.50086642       0.10709731       0.86543115 
          0.17511712       0.72556269       0.75147449 
          0.38003129       0.46697251       0.62785696 
          0.70770811       0.70353482       0.46096972 
          0.76159364       0.79578240       0.15339482 
          0.45180270       0.64300702       0.28518191 
          0.35946428       0.52907050       0.80398188 
          0.51651421       0.61075825       0.69151812 
          0.68339915       0.40656392       0.06146200 
          0.27321899       0.34705885       0.87233231 
          0.01107898       0.39170481       0.11033173 
          0.46388378       0.37847636       0.04238562 
          0.65199236       0.37896740       0.04301812 
          0.09540708       0.80106667       0.37447800 
          0.65492606       0.14416782       0.44231472 
          0.12864381       0.00806370       0.42015995 
          0.93440449       0.18638282       0.96893964 
          0.05781422       0.17971140       0.27471306 
          0.27864643       0.13916378       0.03975050 
          0.63154859       0.13834632       0.77863478 
          0.11559019       0.25957942       0.33269621 
          0.67641501       0.13715575       0.30756341 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      26.02   26.05
      27.58   27.60
   
        123.65170997 
      16880.13376818 
     -27457.45722069 
        170.29289759 
      10239.95902789 
      -9563.30171726 
         -0.00250217 
       -499.54484804 
      12674.55391393 
       2568.28502940 
       2568.28753157 
       2568.28586346 
   
  
  
      31.68   31.70
      31.68   31.70
   
        565.87542110 
        565.87206710 
        565.87430310 
   
  
  
      30.53   30.54
      30.53   30.55
   
        233.07114216 
        233.08206314 
        233.07478248 
   
  
  
      34.81   34.83
      34.81   34.84
   
        207.67610847 
        207.69963691 
        207.68395129 
   
  
  
      32.65   32.67
      32.93   32.95
   
        206.69816553 
        206.71983533 
        206.70538880 
   
  
  
      31.85   31.92
      33.29   33.35
   
        233.00443831 
        233.01127228 
        233.00671630 
   
  
  
      33.47   33.54
      34.92   34.98
   
        105.75973018 
        105.76465211 
        105.76137082 
   
  
  
      36.36   36.41
      37.89   37.93
   
        130.93961776 
        130.95010041 
        130.94311198 
   
  
  
      32.46   32.52
      33.87   33.93
   
        239.49552032 
        239.55539284 
        239.51547783 
   
  
  
      31.97   32.00
      33.52   33.54
   
        269.87292896 
        269.82455393 
        269.85680395 
   
  
  
      31.53   31.59
      33.06   33.13
   
        298.78153930 
        298.83546526 
        298.79951462 
   
  
  
      30.23   30.29
      31.75   31.81
   
        312.80153312 
        312.84398834 
        312.81568486 
   
  
  
      32.35   32.39
      33.89   33.93
   
        315.00261923 
        315.02080673 
        315.00868173 
   
  
  
      31.69   31.72
      33.46   33.50
   
        307.24401838 
        307.19705889 
        307.22836521 
   
  
  
      27.10   27.18
      28.90   28.98
   
        318.91548330 
        318.92656964 
        318.91917874 
   
  
  
      33.61   33.65
      35.27   35.31
   
        317.57943879 
        317.60184237 
        317.58690665 
   
  
  
      28.91   28.96
      30.39   30.44
   
        319.58270884 
        319.56580789 
        319.57707519 
   
  
  
      34.66   34.71
      36.15   36.20
   
        320.00946619 
        319.90334770 
        319.97409336 
   
  
  
      28.71   28.80
      30.14   30.23
   
        322.55397416 
        322.56365793 
        322.55720208 
   
  
  
      34.68   34.73
      36.40   36.44
   
        323.46534983 
        323.64174445 
        323.52414804 
   
  
  
      31.07   31.14
      33.10   33.18
   
        323.17941729 
        323.33918200 
        323.23267220 
   
  
  
      30.80   30.84
      32.34   32.38
   
        323.22992318 
        323.33512563 
        323.26499066 
   
  
  
      30.41   30.45
      31.94   31.99
   
        323.89420743 
        323.98603991 
        323.92481826 
   
  
  
      29.84   29.89
      31.34   31.40
   
        323.87115031 
        323.96865480 
        323.90365181 
   
  
  
      32.32   32.35
      34.00   34.04
   
        324.07478554 
        324.12344386 
        324.09100498 
   
  
  
      27.88   27.95
      29.66   29.72
   
        323.04267412 
        323.06988114 
        323.05174313 
   
  
  
      30.51   30.57
      32.19   32.25
   
        322.77580165 
        322.80150793 
        322.78437041 
   
  
  
      35.44   35.51
      37.00   37.07
   
        322.56971334 
        322.58744214 
        322.57562294 
   
  
  
      27.18   27.22
      28.88   28.93
   
        322.57119136 
        322.58694475 
        322.57644249 
   
  
  
      35.53   35.57
      37.26   37.30
   
        322.45040577 
        322.46661978 
        322.45581044 
   
  
  
      33.36   33.41
      34.88   34.93
   
        321.90591555 
        321.88631515 
        321.89938208 
   
  
  
      26.66   26.71
      28.23   28.29
   
        321.97551356 
        321.94418248 
        321.96506987 
   
  
  
      31.05   31.10
      32.71   32.75
   
        319.86619672 
        319.86564211 
        319.86601185