vasp 
  6.3.2  
  27Jun22 (build Jan 12 2023 12:08:26) complex                          parallel 
  Lin64 
  2024 09 16 
  22:23:14 
 
 
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      60
       2
       2
        0.00001000
       -0.02000000
     100
       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      0.06000000      0.01400000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00200000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.16400000      0.01600000      0.00000000      0.01600000     -0.03900000      0.00600000      0.00100000      0.00000000      0.00100000      0.00100000     -0.00100000     -0.00700000      0.02200000      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      0.00000000
   F  
       1
        0.20000000
       1
   F  
   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 
    
   
   
           0.01806588       0.46084282       0.07426195 
           0.01166832       0.54028605       0.42994339 
           0.27515777       0.46030869       0.18645740 
           0.25961523       0.53685109       0.30604363 
           0.00000000       0.23711251       0.43249270 
           0.25000000       0.23711251       0.31750730 
           0.00000000       0.31002987       0.06310984 
           0.25000000       0.31002987       0.18689016 
           0.00000000       0.38653400       0.43672229 
           0.25000000       0.38653400       0.31327771 
           0.00474691       0.46458603       0.55895777 
           0.01333657       0.54003473       0.95784331 
           0.25112069       0.46696551       0.69251136 
           0.23829058       0.54813744       0.81377415 
           0.25000000       0.23711251       0.81750730 
           0.00000000       0.31002987       0.56310984 
           0.25000000       0.31002987       0.68689016 
           0.00000000       0.38653400       0.93672229 
           0.25000000       0.38653400       0.81327771 
           0.51636545       0.46707119       0.04958593 
           0.50742095       0.54072507       0.43296507 
           0.75409072       0.46215720       0.19194283 
           0.75776408       0.53957382       0.30906862 
           0.50000000       0.23711251       0.43249270 
           0.75000000       0.23711251       0.31750730 
           0.50000000       0.31002987       0.06310984 
           0.75000000       0.31002987       0.18689016 
           0.50000000       0.38653400       0.43672229 
           0.75000000       0.38653400       0.31327771 
           0.50220343       0.46464322       0.56383541 
           0.48583081       0.55229084       0.94156835 
           0.75677872       0.46619000       0.68570138 
           0.75328705       0.53483846       0.84355224 
           0.50000000       0.23711251       0.93249270 
           0.75000000       0.23711251       0.81750730 
           0.75000000       0.31002987       0.68689016 
           0.50000000       0.38653400       0.93672229 
           0.75000000       0.38653400       0.81327771 
           0.07808656       0.65528166       0.80126583 
           0.48421420       0.66295444       0.48474689 
           0.18625635       0.60270942       0.72748347 
           0.50604344       0.60072231       0.50751922 
           0.03155529       0.59781520       0.50760250 
           0.26341687       0.59478446       0.22150607 
           0.02242745       0.59147690       0.05895400 
           0.75929150       0.59171519       0.20996222 
           0.50008081       0.60414427       0.03943524 
           0.70592979       0.47471427       0.93141379 
           0.98424543       0.18344461       0.52992852 
           0.24496773       0.18301310       0.22094282 
           0.17954736       0.17709452       0.79152145 
           0.77724754       0.18227501       0.22970530 
           0.50999436       0.18448769       0.02979093 
           0.81789196       0.18065296       0.75349478 
           0.64436663       0.69561531       0.35612459 
           0.79305237       0.62109075       0.75029012 
           0.49385605       0.70815628       0.63679285 
           0.04926635       0.71325306       0.65217573 
           0.07848982       0.59546620       0.59371063 
           0.16398519       0.59559521       0.15712370 
           0.91541198       0.59427212       0.11393896 
           0.65863847       0.59640743       0.15165987 
           0.40567984       0.60507748       0.10308984 
           0.80969790       0.45174508       0.94648585 
           0.16940437       0.64725725       0.46164971 
           0.26887159       0.65222645       0.32587360 
           0.99544929       0.14903522       0.49062943 
           0.12704686       0.17322753       0.19481578 
           0.05329172       0.17227757       0.77553419 
           0.69434820       0.17838711       0.16037345 
           0.40952242       0.18075572       0.08679097 
           0.85479092       0.18255309       0.66493067 
           0.24859598       0.76167167       0.41399192 
           0.26689720       0.66963454       0.41422095 
   
  
  
           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 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
          57 
          58 
          59 
          60 
          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       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 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   unknown system
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       11
      184
       -1
       -1
       292.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     F  
          0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
         -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06000000      0.01400000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00200000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.16400000      0.01600000      0.00000000      0.01600000     -0.03900000      0.00600000      0.00100000      0.00000000      0.00100000      0.00100000     -0.00100000     -0.00700000      0.02200000      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      0.00000000
         -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  
           0.00100000
           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  
  
  
      100
        2
        0
        2
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      100
      256
        10.00000000
  
  
        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
  
  
        4
        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  
    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
        17.05350090
         1.00000000
  
  
    F  
    F  
    F  
    F  
         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
        1
        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
  
  
        1
    F  
  
  
    F  
  
 
 
        74 
         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
    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                   
       4Cl     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 
   
  
  
          0.01806588       0.46084282       0.07426195 
          0.01166832       0.54028605       0.42994339 
          0.27515777       0.46030869       0.18645740 
          0.25961523       0.53685109       0.30604363 
          0.00000000       0.23711251       0.43249270 
          0.25000000       0.23711251       0.31750730 
          0.00000000       0.31002987       0.06310984 
          0.25000000       0.31002987       0.18689016 
          0.00000000       0.38653400       0.43672229 
          0.25000000       0.38653400       0.31327771 
          0.00474691       0.46458603       0.55895777 
          0.01333657       0.54003473       0.95784331 
          0.25112069       0.46696551       0.69251136 
          0.23829058       0.54813744       0.81377415 
          0.25000000       0.23711251       0.81750730 
          0.00000000       0.31002987       0.56310984 
          0.25000000       0.31002987       0.68689016 
          0.00000000       0.38653400       0.93672229 
          0.25000000       0.38653400       0.81327771 
          0.51636545       0.46707119       0.04958593 
          0.50742095       0.54072507       0.43296507 
          0.75409072       0.46215720       0.19194283 
          0.75776408       0.53957382       0.30906862 
          0.50000000       0.23711251       0.43249270 
          0.75000000       0.23711251       0.31750730 
          0.50000000       0.31002987       0.06310984 
          0.75000000       0.31002987       0.18689016 
          0.50000000       0.38653400       0.43672229 
          0.75000000       0.38653400       0.31327771 
          0.50220343       0.46464322       0.56383541 
          0.48583081       0.55229084       0.94156835 
          0.75677872       0.46619000       0.68570138 
          0.75328705       0.53483846       0.84355224 
          0.50000000       0.23711251       0.93249270 
          0.75000000       0.23711251       0.81750730 
          0.75000000       0.31002987       0.68689016 
          0.50000000       0.38653400       0.93672229 
          0.75000000       0.38653400       0.81327771 
          0.07808656       0.65528166       0.80126583 
          0.48421420       0.66295444       0.48474689 
          0.18625635       0.60270942       0.72748347 
          0.50604344       0.60072231       0.50751922 
          0.03155529       0.59781520       0.50760250 
          0.26341687       0.59478446       0.22150607 
          0.02242745       0.59147690       0.05895400 
          0.75929150       0.59171519       0.20996222 
          0.50008081       0.60414427       0.03943524 
          0.70592979       0.47471427       0.93141379 
          0.98424543       0.18344461       0.52992852 
          0.24496773       0.18301310       0.22094282 
          0.17954736       0.17709452       0.79152145 
          0.77724754       0.18227501       0.22970530 
          0.50999436       0.18448769       0.02979093 
          0.81789196       0.18065296       0.75349478 
          0.64436663       0.69561531       0.35612459 
          0.79305237       0.62109075       0.75029012 
          0.49385605       0.70815628       0.63679285 
          0.04926635       0.71325306       0.65217573 
          0.07848982       0.59546620       0.59371063 
          0.16398519       0.59559521       0.15712370 
          0.91541198       0.59427212       0.11393896 
          0.65863847       0.59640743       0.15165987 
          0.40567984       0.60507748       0.10308984 
          0.80969790       0.45174508       0.94648585 
          0.16940437       0.64725725       0.46164971 
          0.26887159       0.65222645       0.32587360 
          0.99544929       0.14903522       0.49062943 
          0.12704686       0.17322753       0.19481578 
          0.05329172       0.17227757       0.77553419 
          0.69434820       0.17838711       0.16037345 
          0.40952242       0.18075572       0.08679097 
          0.85479092       0.18255309       0.66493067 
          0.24859598       0.76167167       0.41399192 
          0.26689720       0.66963454       0.41422095 
  
  
     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 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      57.66   57.67
      58.25   58.25
   
        116.56810430 
      24699.18507049 
     -35784.77697172 
        152.56021858 
       9914.68697277 
      -9237.91595799 
         -0.00391281 
       -362.48072585 
      12264.83694835 
       1762.65974611 
       1762.66365892 
       1762.66105038 
   
  
  
      69.48   69.48
      69.48   69.48
   
       -108.42453695 
       -108.42551564 
       -108.42486318 
   
  
  
      62.94   62.95
      62.94   62.95
   
       -399.46263033 
       -399.39446268 
       -399.43990778 
   
  
  
      65.96   65.96
      65.96   65.96
   
       -413.36315041 
       -413.29628793 
       -413.34086291 
   
  
  
      68.72   68.72
      70.03   70.03
   
       -413.85981237 
       -413.79310137 
       -413.83757537 
   
  
  
      67.35   67.35
      69.21   69.21
   
       -387.90441745 
       -387.78086429 
       -387.86323306 
   
  
  
      59.71   59.71
      61.57   61.57
   
       -389.19659351 
       -389.17772793 
       -389.19030499 
   
  
  
      64.08   64.08
      65.93   65.94
   
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