vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 03 30 
  23:32:10 
 
 
  Energy of Formation : Interfaces: (Hf3AlO8)6 and (TINO)8 (from job 302) opt. all
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
       2
        0.00001000
       -0.02000000
     800
       3
       1
      400.00000000
        1.44000000      1.18000000      1.45000000      0.73000000      1.45000000      0.75000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           10.34219346       0.19235453      -0.03691853 
           -0.14393848      14.96064910      -0.08313703 
           -0.14180149      -0.22959770      40.93904024 
    
       6335.18976574 
    
            0.09667517       0.00093202       0.00034008 
           -0.00124169       0.06683213       0.00037051 
            0.00008466       0.00013656       0.02442762 
    
   
   
           0.02187476       0.86142371       0.78318732 
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           0.02187476       0.97253482       0.27371262 
           0.02187476       0.69475705       0.40108129 
           0.02187476       0.75031260       0.52844997 
           0.02187476       0.80586816       0.65581864 
           0.52187476       0.86142371       0.78318732 
           0.52187476       0.91697927       0.14634394 
           0.52187476       0.97253482       0.27371262 
           0.52187476       0.69475705       0.40108129 
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           0.52187476       0.80586816       0.65581864 
           0.02187476       0.52809038       0.78318732 
           0.02187476       0.58364594       0.14634394 
           0.02187476       0.63920149       0.27371262 
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           0.52187476       0.19475705       0.78318732 
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           0.26326515       0.87781666       0.41390037 
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           0.26326515       0.37781666       0.79600640 
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           0.26326515       0.54448333       0.41390037 
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           0.26326515       0.65559444       0.66863772 
           0.76326515       0.37781666       0.79600640 
           0.76326515       0.43337222       0.15916302 
           0.76326515       0.48892778       0.28653170 
           0.76326515       0.54448333       0.41390037 
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           0.26326515       0.21115000       0.41390037 
           0.26326515       0.26670555       0.54126905 
           0.26326515       0.32226111       0.66863772 
           0.76326515       0.04448333       0.79600640 
           0.76326515       0.10003889       0.15916302 
           0.76326515       0.15559444       0.28653170 
           0.76326515       0.21115000       0.41390037 
           0.76326515       0.26670555       0.54126905 
           0.76326515       0.32226111       0.66863772 
           0.47391240       0.74228129       0.85575131 
           0.23209133       0.88759548       0.84678597 
           0.47391240       0.79783685       0.21890793 
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           0.47391240       0.85339240       0.34627661 
           0.23209133       0.99870659       0.33731127 
           0.47391240       0.90894796       0.47364528 
           0.23209133       0.72092882       0.46467995 
           0.47391240       0.96450351       0.60101396 
           0.23209133       0.77648437       0.59204862 
           0.47391240       0.68672574       0.72838263 
           0.23209133       0.83203993       0.71941730 
           0.97391240       0.74228129       0.85575131 
           0.73209133       0.88759548       0.84678597 
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           0.97391240       0.85339240       0.34627661 
           0.73209133       0.99870659       0.33731127 
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           0.47391240       0.52005907       0.34627661 
           0.23209133       0.66537326       0.33731127 
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           0.23209133       0.38759548       0.46467995 
           0.47391240       0.63117018       0.60101396 
           0.23209133       0.44315104       0.59204862 
           0.47391240       0.35339240       0.72838263 
           0.23209133       0.49870659       0.71941730 
           0.97391240       0.40894796       0.85575131 
           0.73209133       0.55426215       0.84678597 
           0.97391240       0.46450351       0.21890793 
           0.73209133       0.60981770       0.20994260 
           0.97391240       0.52005907       0.34627661 
           0.73209133       0.66537326       0.33731127 
           0.97391240       0.57561462       0.47364528 
           0.73209133       0.38759548       0.46467995 
           0.97391240       0.63117018       0.60101396 
           0.73209133       0.44315104       0.59204862 
           0.97391240       0.35339240       0.72838263 
           0.73209133       0.49870659       0.71941730 
           0.47391240       0.07561462       0.85575131 
           0.23209133       0.22092882       0.84678597 
           0.47391240       0.13117018       0.21890793 
           0.23209133       0.27648437       0.20994260 
           0.47391240       0.18672574       0.34627661 
           0.23209133       0.33203993       0.33731127 
           0.47391240       0.24228129       0.47364528 
           0.23209133       0.05426215       0.46467995 
           0.47391240       0.29783685       0.60101396 
           0.23209133       0.10981770       0.59204862 
           0.47391240       0.02005907       0.72838263 
           0.23209133       0.16537326       0.71941730 
           0.97391240       0.07561462       0.85575131 
           0.73209133       0.22092882       0.84678597 
           0.97391240       0.13117018       0.21890793 
           0.73209133       0.27648437       0.20994260 
           0.97391240       0.18672574       0.34627661 
           0.73209133       0.33203993       0.33731127 
           0.97391240       0.24228129       0.47364528 
           0.73209133       0.05426215       0.46467995 
           0.97391240       0.29783685       0.60101396 
           0.73209133       0.10981770       0.59204862 
           0.97391240       0.02005907       0.72838263 
           0.73209133       0.16537326       0.71941730 
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           0.15722065       0.76499387       0.76312615 
           0.11139805       0.79371458       0.82413065 
           0.40107229       0.85814562       0.87371723 
           0.15367086       0.67088962       0.16478532 
           0.39973808       0.70208148       0.13861832 
           0.33110280       0.72460995       0.20038619 
           0.09189838       0.69290443       0.22936754 
           0.36275522       0.86798775       0.17421400 
           0.15722065       0.82054943       0.12628277 
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           0.15722065       0.87610498       0.25365145 
           0.11139805       0.90482569       0.31465595 
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           0.15722065       0.93166054       0.38102012 
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           0.40107229       0.69147895       0.49161120 
           0.15367086       0.83755629       0.54689135 
           0.39973808       0.86874814       0.52072435 
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           0.15722065       0.70943832       0.63575747 
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           0.33110280       0.16905440       0.45512354 
           0.09189838       0.13734887       0.48410489 
           0.36275522       0.31243219       0.42895135 
           0.15722065       0.26499387       0.38102012 
           0.11139805       0.29371458       0.44202463 
           0.40107229       0.02481228       0.49161120 
           0.15367086       0.17088962       0.54689135 
           0.39973808       0.20208148       0.52072435 
           0.33110280       0.22460995       0.58249221 
           0.09189838       0.19290443       0.61147357 
           0.36275522       0.03465442       0.55632002 
           0.15722065       0.32054943       0.50838880 
           0.11139805       0.01593680       0.56939330 
           0.40107229       0.08036784       0.61897988 
           0.15367086       0.22644518       0.67426002 
           0.39973808       0.25763703       0.64809302 
           0.33110280       0.28016551       0.70986089 
           0.09189838       0.24845998       0.73884224 
           0.36275522       0.09020997       0.68368870 
           0.15722065       0.04277165       0.63575747 
           0.11139805       0.07149235       0.69676198 
           0.40107229       0.13592339       0.74634855 
           0.65367086       0.28200074       0.80162870 
           0.89973808       0.31319259       0.77546170 
           0.83110280       0.00238773       0.83722956 
           0.59189838       0.30401554       0.86621092 
           0.86275522       0.14576553       0.81105737 
           0.65722065       0.09832721       0.76312615 
           0.61139805       0.12704791       0.82413065 
           0.90107229       0.19147895       0.87371723 
           0.65367086       0.00422296       0.16478532 
           0.89973808       0.03541481       0.13861832 
           0.83110280       0.05794329       0.20038619 
           0.59189838       0.02623776       0.22936754 
           0.86275522       0.20132108       0.17421400 
           0.65722065       0.15388276       0.12628277 
           0.61139805       0.18260347       0.18728728 
           0.90107229       0.24703451       0.23687385 
           0.65367086       0.05977851       0.29215400 
           0.89973808       0.09097036       0.26598700 
           0.83110280       0.11349884       0.32775486 
           0.59189838       0.08179331       0.35673622 
           0.86275522       0.25687664       0.30158267 
           0.65722065       0.20943832       0.25365145 
           0.61139805       0.23815902       0.31465595 
           0.90107229       0.30259006       0.36424253 
           0.65367086       0.11533407       0.41952267 
           0.89973808       0.14652592       0.39335567 
           0.83110280       0.16905440       0.45512354 
           0.59189838       0.13734887       0.48410489 
           0.86275522       0.31243219       0.42895135 
           0.65722065       0.26499387       0.38102012 
           0.61139805       0.29371458       0.44202463 
           0.90107229       0.02481228       0.49161120 
           0.65367086       0.17088962       0.54689135 
           0.89973808       0.20208148       0.52072435 
           0.83110280       0.22460995       0.58249221 
           0.59189838       0.19290443       0.61147357 
           0.86275522       0.03465442       0.55632002 
           0.65722065       0.32054943       0.50838880 
           0.61139805       0.01593680       0.56939330 
           0.90107229       0.08036784       0.61897988 
           0.65367086       0.22644518       0.67426002 
           0.89973808       0.25763703       0.64809302 
           0.83110280       0.28016551       0.70986089 
           0.59189838       0.24845998       0.73884224 
           0.86275522       0.09020997       0.68368870 
           0.65722065       0.04277165       0.63575747 
           0.61139805       0.07149235       0.69676198 
           0.90107229       0.13592339       0.74634855 
           0.06944444       0.15277778       0.97418643 
           0.06944444       0.15277778       0.07744072 
           0.09722222       0.01388889       0.02581357 
           0.29166667       0.04166667       0.97418643 
           0.09722222       0.01388889       0.92255928 
           0.29166667       0.04166667       0.07744072 
           0.01388889       0.43055556       0.97418643 
           0.01388889       0.43055556       0.07744072 
           0.04166667       0.29166667       0.02581357 
           0.23611111       0.31944444       0.97418643 
           0.04166667       0.29166667       0.92255928 
           0.23611111       0.31944444       0.07744072 
           0.26388889       0.18055556       0.02581357 
           0.45833333       0.20833333       0.97418643 
           0.26388889       0.18055556       0.92255928 
           0.45833333       0.20833333       0.07744072 
           0.48611111       0.06944444       0.02581357 
           0.68055556       0.09722222       0.97418643 
           0.48611111       0.06944444       0.92255928 
           0.68055556       0.09722222       0.07744072 
           0.18055556       0.59722222       0.97418643 
           0.18055556       0.59722222       0.07744072 
           0.20833333       0.45833333       0.02581357 
           0.40277778       0.48611111       0.97418643 
           0.20833333       0.45833333       0.92255928 
           0.40277778       0.48611111       0.07744072 
           0.43055556       0.34722222       0.02581357 
           0.62500000       0.37500000       0.97418643 
           0.43055556       0.34722222       0.92255928 
           0.62500000       0.37500000       0.07744072 
           0.65277778       0.23611111       0.02581357 
           0.84722222       0.26388889       0.97418643 
           0.65277778       0.23611111       0.92255928 
           0.84722222       0.26388889       0.07744072 
           0.87500000       0.12500000       0.02581357 
           0.87500000       0.12500000       0.92255928 
           0.12500000       0.87500000       0.97418643 
           0.12500000       0.87500000       0.07744072 
           0.15277778       0.73611111       0.02581357 
           0.34722222       0.76388889       0.97418643 
           0.15277778       0.73611111       0.92255928 
           0.34722222       0.76388889       0.07744072 
           0.37500000       0.62500000       0.02581357 
           0.56944444       0.65277778       0.97418643 
           0.37500000       0.62500000       0.92255928 
           0.56944444       0.65277778       0.07744072 
           0.59722222       0.51388889       0.02581357 
           0.79166667       0.54166667       0.97418643 
           0.59722222       0.51388889       0.92255928 
           0.79166667       0.54166667       0.07744072 
           0.81944444       0.40277778       0.02581357 
           0.81944444       0.40277778       0.92255928 
           0.31944444       0.90277778       0.02581357 
           0.51388889       0.93055556       0.97418643 
           0.31944444       0.90277778       0.92255928 
           0.51388889       0.93055556       0.07744072 
           0.54166667       0.79166667       0.02581357 
           0.73611111       0.81944444       0.97418643 
           0.54166667       0.79166667       0.92255928 
           0.73611111       0.81944444       0.07744072 
           0.76388889       0.68055556       0.02581357 
           0.95833333       0.70833333       0.97418643 
           0.76388889       0.68055556       0.92255928 
           0.95833333       0.70833333       0.07744072 
           0.98611111       0.56944444       0.02581357 
           0.98611111       0.56944444       0.92255928 
           0.70833333       0.95833333       0.02581357 
           0.90277778       0.98611111       0.97418643 
           0.70833333       0.95833333       0.92255928 
           0.90277778       0.98611111       0.07744072 
           0.93055556       0.84722222       0.02581357 
           0.93055556       0.84722222       0.92255928 
           0.06944444       0.15277778       0.92255928 
           0.06944444       0.15277778       0.02581357 
           0.09722222       0.01388889       0.07744072 
           0.29166667       0.04166667       0.92255928 
           0.09722222       0.01388889       0.97418643 
           0.29166667       0.04166667       0.02581357 
           0.01388889       0.43055556       0.92255928 
           0.01388889       0.43055556       0.02581357 
           0.04166667       0.29166667       0.07744072 
           0.23611111       0.31944444       0.92255928 
           0.04166667       0.29166667       0.97418643 
           0.23611111       0.31944444       0.02581357 
           0.26388889       0.18055556       0.07744072 
           0.45833333       0.20833333       0.92255928 
           0.26388889       0.18055556       0.97418643 
           0.45833333       0.20833333       0.02581357 
           0.48611111       0.06944444       0.07744072 
           0.68055556       0.09722222       0.92255928 
           0.48611111       0.06944444       0.97418643 
           0.68055556       0.09722222       0.02581357 
           0.18055556       0.59722222       0.92255928 
           0.18055556       0.59722222       0.02581357 
           0.20833333       0.45833333       0.07744072 
           0.40277778       0.48611111       0.92255928 
           0.20833333       0.45833333       0.97418643 
           0.40277778       0.48611111       0.02581357 
           0.43055556       0.34722222       0.07744072 
           0.62500000       0.37500000       0.92255928 
           0.43055556       0.34722222       0.97418643 
           0.62500000       0.37500000       0.02581357 
           0.65277778       0.23611111       0.07744072 
           0.84722222       0.26388889       0.92255928 
           0.65277778       0.23611111       0.97418643 
           0.84722222       0.26388889       0.02581357 
           0.87500000       0.12500000       0.07744072 
           0.87500000       0.12500000       0.97418643 
           0.12500000       0.87500000       0.92255928 
           0.12500000       0.87500000       0.02581357 
           0.15277778       0.73611111       0.07744072 
           0.34722222       0.76388889       0.92255928 
           0.15277778       0.73611111       0.97418643 
           0.34722222       0.76388889       0.02581357 
           0.37500000       0.62500000       0.07744072 
           0.56944444       0.65277778       0.92255928 
           0.37500000       0.62500000       0.97418643 
           0.56944444       0.65277778       0.02581357 
           0.59722222       0.51388889       0.07744072 
           0.79166667       0.54166667       0.92255928 
           0.59722222       0.51388889       0.97418643 
           0.79166667       0.54166667       0.02581357 
           0.81944444       0.40277778       0.07744072 
           0.81944444       0.40277778       0.97418643 
           0.31944444       0.90277778       0.07744072 
           0.51388889       0.93055556       0.92255928 
           0.31944444       0.90277778       0.97418643 
           0.51388889       0.93055556       0.02581357 
           0.54166667       0.79166667       0.07744072 
           0.73611111       0.81944444       0.92255928 
           0.54166667       0.79166667       0.97418643 
           0.73611111       0.81944444       0.02581357 
           0.76388889       0.68055556       0.07744072 
           0.95833333       0.70833333       0.92255928 
           0.76388889       0.68055556       0.97418643 
           0.95833333       0.70833333       0.02581357 
           0.98611111       0.56944444       0.07744072 
           0.98611111       0.56944444       0.97418643 
           0.70833333       0.95833333       0.07744072 
           0.90277778       0.98611111       0.92255928 
           0.70833333       0.95833333       0.97418643 
           0.90277778       0.98611111       0.02581357 
           0.93055556       0.84722222       0.07744072 
           0.93055556       0.84722222       0.97418643 
   
  
  
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          2        1        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000      -0.00000000       0.00000000 
         0.00000000       1.00000000       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 
  
  
          0.50000000 
          0.50000000 
  
 
 
  
   Energy of Formation : Interfaces: (Hf3Al
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       11
     2570
       -1
       -1
      4284.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000     -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      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      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      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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00100000
           0.00000000
           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
   
  
  
       54
       80
      200
      108
      160
      400
    F  
  
  
      800
        2
        0
        3
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      800
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.44000000      1.18000000      1.45000000      0.73000000      1.45000000      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  
       178.49000000     26.98100000     91.22400000     16.00000000     47.88000000     14.00100000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
         6.59915601
         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  
  
 
 
       576 
         6 
  
   ion
   element
   atomtype
   
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Hf   1
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Al   2
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    Zr   3
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    O    4
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    Ti   5
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
    N    6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      36Hf    178.49000000     10.00000000  PAW_PBE Hf_pv 06Sep2000               
      36Al     26.98100000      3.00000000  PAW_PBE Al 04Jan2001                  
      72Zr     91.22400000     12.00000000  PAW_PBE Zr_sv 04Jan2005               
     288O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      72Ti     47.88000000     12.00000000  PAW_PBE Ti_sv 26Sep2005               
      72N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
          10.34219346       0.19235453      -0.03691853 
          -0.14393848      14.96064910      -0.08313703 
          -0.14180149      -0.22959770      40.93904024 
   
      6335.18976574 
   
           0.09667517       0.00093202       0.00034008 
          -0.00124169       0.06683213       0.00037051 
           0.00008466       0.00013656       0.02442762 
   
  
  
          0.02187476       0.86142371       0.78318732 
          0.02187476       0.91697927       0.14634394 
          0.02187476       0.97253482       0.27371262 
          0.02187476       0.69475705       0.40108129 
          0.02187476       0.75031260       0.52844997 
          0.02187476       0.80586816       0.65581864 
          0.52187476       0.86142371       0.78318732 
          0.52187476       0.91697927       0.14634394 
          0.52187476       0.97253482       0.27371262 
          0.52187476       0.69475705       0.40108129 
          0.52187476       0.75031260       0.52844997 
          0.52187476       0.80586816       0.65581864 
          0.02187476       0.52809038       0.78318732 
          0.02187476       0.58364594       0.14634394 
          0.02187476       0.63920149       0.27371262 
          0.02187476       0.36142371       0.40108129 
          0.02187476       0.41697927       0.52844997 
          0.02187476       0.47253482       0.65581864 
          0.52187476       0.52809038       0.78318732 
          0.52187476       0.58364594       0.14634394 
          0.52187476       0.63920149       0.27371262 
          0.52187476       0.36142371       0.40108129 
          0.52187476       0.41697927       0.52844997 
          0.52187476       0.47253482       0.65581864 
          0.02187476       0.19475705       0.78318732 
          0.02187476       0.25031260       0.14634394 
          0.02187476       0.30586816       0.27371262 
          0.02187476       0.02809038       0.40108129 
          0.02187476       0.08364594       0.52844997 
          0.02187476       0.13920149       0.65581864 
          0.52187476       0.19475705       0.78318732 
          0.52187476       0.25031260       0.14634394 
          0.52187476       0.30586816       0.27371262 
          0.52187476       0.02809038       0.40108129 
          0.52187476       0.08364594       0.52844997 
          0.52187476       0.13920149       0.65581864 
          0.26326515       0.71115000       0.79600640 
          0.26326515       0.76670555       0.15916302 
          0.26326515       0.82226111       0.28653170 
          0.26326515       0.87781666       0.41390037 
          0.26326515       0.93337222       0.54126905 
          0.26326515       0.98892778       0.66863772 
          0.76326515       0.71115000       0.79600640 
          0.76326515       0.76670555       0.15916302 
          0.76326515       0.82226111       0.28653170 
          0.76326515       0.87781666       0.41390037 
          0.76326515       0.93337222       0.54126905 
          0.76326515       0.98892778       0.66863772 
          0.26326515       0.37781666       0.79600640 
          0.26326515       0.43337222       0.15916302 
          0.26326515       0.48892778       0.28653170 
          0.26326515       0.54448333       0.41390037 
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