vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 16 
  20:06:10 
 
 
  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      0.99000000      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 
    
   
   
           0.02069913       0.46219765       0.07489127 
           0.01156807       0.54323897       0.43349129 
           0.27448924       0.46377766       0.19201208 
           0.26524777       0.54099283       0.31169508 
           0.00544324       0.23858014       0.43147376 
           0.25544324       0.23858014       0.31648836 
           0.00544324       0.31149750       0.06209090 
           0.25544324       0.31149750       0.18587122 
           0.00544324       0.38800163       0.43570335 
           0.25544324       0.38800163       0.31225877 
           0.01286857       0.46590581       0.55581187 
           0.01845552       0.54075599       0.95732338 
           0.25725133       0.46966981       0.69093273 
           0.24090854       0.55078217       0.81563597 
           0.25544324       0.23858014       0.81648836 
           0.00544324       0.31149750       0.56209090 
           0.25544324       0.31149750       0.68587122 
           0.00544324       0.38800163       0.93570335 
           0.25544324       0.38800163       0.81225877 
           0.51357235       0.46816207       0.05151734 
           0.51881938       0.54367241       0.43433906 
           0.75557494       0.46330135       0.19125207 
           0.76568830       0.54018171       0.30646011 
           0.50544324       0.23858014       0.43147376 
           0.75544324       0.23858014       0.31648836 
           0.50544324       0.31149750       0.06209090 
           0.75544324       0.31149750       0.18587122 
           0.50544324       0.38800163       0.43570335 
           0.75544324       0.38800163       0.31225877 
           0.50658055       0.46664923       0.55985133 
           0.48921092       0.55362793       0.94086635 
           0.76227275       0.46569602       0.67946888 
           0.75636023       0.53104031       0.84232744 
           0.50544324       0.23858014       0.93147376 
           0.75544324       0.23858014       0.81648836 
           0.75544324       0.31149750       0.68587122 
           0.50544324       0.38800163       0.93570335 
           0.75544324       0.38800163       0.81225877 
           0.10461872       0.66757114       0.78997580 
           0.51231508       0.66750533       0.47280846 
           0.18188584       0.61134834       0.74221519 
           0.52859409       0.60676920       0.51027396 
           0.99781046       0.59851603       0.52414463 
           0.27591139       0.59695273       0.21688890 
           0.03099439       0.59384026       0.05490736 
           0.77244282       0.59174505       0.20410476 
           0.51208771       0.60526258       0.03966839 
           0.71145893       0.47607596       0.93291637 
           0.98889670       0.18464735       0.52869519 
           0.24750904       0.18468144       0.21858281 
           0.18499240       0.17830472       0.78954851 
           0.78441325       0.18370010       0.22770957 
           0.51522918       0.18616793       0.02996896 
           0.82189662       0.18179022       0.75228247 
           0.26020123       0.70118230       0.92054932 
           0.71922439       0.69153322       0.36721085 
           0.85577743       0.66400674       0.85302657 
           0.52993716       0.70582809       0.63464008 
           0.08503435       0.71961178       0.64239256 
           0.07555082       0.59835312       0.59054391 
           0.17297923       0.59716718       0.15412860 
           0.92478759       0.59592571       0.11198012 
           0.67048351       0.59757697       0.14835748 
           0.41845176       0.60598778       0.10412927 
           0.81402311       0.45172919       0.94612660 
           0.20994646       0.68660275       0.45095570 
           0.30003344       0.66308723       0.32581264 
           0.99962348       0.15029408       0.48922755 
           0.12894759       0.17559640       0.19313477 
           0.05884325       0.17375502       0.77283464 
           0.70085171       0.17956579       0.15881191 
           0.41345658       0.18220582       0.08590831 
           0.85860186       0.18392378       0.66378494 
           0.31416091       0.72648768       0.35911235 
           0.30109631       0.69768993       0.39154815 
   
  
  
           1 
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          31 
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          44 
          45 
          46 
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          49 
          50 
          51 
          52 
          53 
          54 
          55 
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          58 
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          61 
          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
      187
       -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  
   
   
       200
        -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
  
  
        1
        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
      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  
  
 
 
        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 
   
  
  
          0.02069913       0.46219765       0.07489127 
          0.01156807       0.54323897       0.43349129 
          0.27448924       0.46377766       0.19201208 
          0.26524777       0.54099283       0.31169508 
          0.00544324       0.23858014       0.43147376 
          0.25544324       0.23858014       0.31648836 
          0.00544324       0.31149750       0.06209090 
          0.25544324       0.31149750       0.18587122 
          0.00544324       0.38800163       0.43570335 
          0.25544324       0.38800163       0.31225877 
          0.01286857       0.46590581       0.55581187 
          0.01845552       0.54075599       0.95732338 
          0.25725133       0.46966981       0.69093273 
          0.24090854       0.55078217       0.81563597 
          0.25544324       0.23858014       0.81648836 
          0.00544324       0.31149750       0.56209090 
          0.25544324       0.31149750       0.68587122 
          0.00544324       0.38800163       0.93570335 
          0.25544324       0.38800163       0.81225877 
          0.51357235       0.46816207       0.05151734 
          0.51881938       0.54367241       0.43433906 
          0.75557494       0.46330135       0.19125207 
          0.76568830       0.54018171       0.30646011 
          0.50544324       0.23858014       0.43147376 
          0.75544324       0.23858014       0.31648836 
          0.50544324       0.31149750       0.06209090 
          0.75544324       0.31149750       0.18587122 
          0.50544324       0.38800163       0.43570335 
          0.75544324       0.38800163       0.31225877 
          0.50658055       0.46664923       0.55985133 
          0.48921092       0.55362793       0.94086635 
          0.76227275       0.46569602       0.67946888 
          0.75636023       0.53104031       0.84232744 
          0.50544324       0.23858014       0.93147376 
          0.75544324       0.23858014       0.81648836 
          0.75544324       0.31149750       0.68587122 
          0.50544324       0.38800163       0.93570335 
          0.75544324       0.38800163       0.81225877 
          0.10461872       0.66757114       0.78997580 
          0.51231508       0.66750533       0.47280846 
          0.18188584       0.61134834       0.74221519 
          0.52859409       0.60676920       0.51027396 
          0.99781046       0.59851603       0.52414463 
          0.27591139       0.59695273       0.21688890 
          0.03099439       0.59384026       0.05490736 
          0.77244282       0.59174505       0.20410476 
          0.51208771       0.60526258       0.03966839 
          0.71145893       0.47607596       0.93291637 
          0.98889670       0.18464735       0.52869519 
          0.24750904       0.18468144       0.21858281 
          0.18499240       0.17830472       0.78954851 
          0.78441325       0.18370010       0.22770957 
          0.51522918       0.18616793       0.02996896 
          0.82189662       0.18179022       0.75228247 
          0.26020123       0.70118230       0.92054932 
          0.71922439       0.69153322       0.36721085 
          0.85577743       0.66400674       0.85302657 
          0.52993716       0.70582809       0.63464008 
          0.08503435       0.71961178       0.64239256 
          0.07555082       0.59835312       0.59054391 
          0.17297923       0.59716718       0.15412860 
          0.92478759       0.59592571       0.11198012 
          0.67048351       0.59757697       0.14835748 
          0.41845176       0.60598778       0.10412927 
          0.81402311       0.45172919       0.94612660 
          0.20994646       0.68660275       0.45095570 
          0.30003344       0.66308723       0.32581264 
          0.99962348       0.15029408       0.48922755 
          0.12894759       0.17559640       0.19313477 
          0.05884325       0.17375502       0.77283464 
          0.70085171       0.17956579       0.15881191 
          0.41345658       0.18220582       0.08590831 
          0.85860186       0.18392378       0.66378494 
          0.31416091       0.72648768       0.35911235 
          0.30109631       0.69768993       0.39154815 
  
  
     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 
  
 
 
  
      41.86   42.03
      42.76   42.93
   
        123.65170997 
      23307.54134186 
     -34778.93993403 
        173.78966133 
      10239.95902789 
      -9563.30171726 
         -0.02497077 
       -345.90167412 
      12674.55391393 
       1831.32735880 
       1831.35232957 
       1831.33568239 
   
  
  
      51.16   51.15
      51.16   51.15
   
       -113.56201722 
       -113.56832743 
       -113.56412062 
   
  
  
      45.64   45.63
      45.64   45.63
   
       -407.27930550 
       -407.27949195 
       -407.27936765 
   
  
  
      49.11   49.11
      49.12   49.11
   
       -420.88242647 
       -420.88542810 
       -420.88342701 
   
  
  
      49.02   49.01
      49.48   49.47
   
       -421.32061571 
       -421.32379492 
       -421.32167545 
   
  
  
      49.26   49.25
      50.52   50.51
   
       -394.65555498 
       -394.66209469 
       -394.65773488 
   
  
  
      45.04   45.03
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      50.12   50.11
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      46.73   46.72
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      46.63   46.62
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      46.50   46.49
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      46.99   46.99
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      47.97   47.97
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      47.37   47.36
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      46.70   46.70
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      49.58   49.57
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      47.87   47.86
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      48.07   48.06
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      47.99   47.98
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      46.71   46.71
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      45.97   45.97
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      46.05   46.04
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      39.12   39.12
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      36.84   36.84
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      28.36   28.36
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