vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 06 21 
  13:38:49 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000      0.82000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            9.74432000       0.00000000       0.00000000 
            0.00000000       9.74432000       0.00000000 
            0.00000000       0.00000000      23.42768000 
    
       2224.49973600 
    
            0.10262389       0.00000000       0.00000000 
            0.00000000       0.10262389       0.00000000 
            0.00000000       0.00000000       0.04268455 
    
   
   
           0.12926248       0.12710443       0.38620396 
           0.37493163       0.12100298       0.30733970 
           0.30060338       0.08792127       0.60960914 
           0.10164169       0.39454790       0.14986445 
           0.09463753       0.37900200       0.46275535 
           0.35268095       0.36788990       0.22881764 
           0.34712623       0.34060536       0.53627982 
           0.13006779       0.62822889       0.38216209 
           0.38082447       0.62129888       0.30685021 
           0.33432710       0.58781083       0.61727724 
           0.11472835       0.89306258       0.14677146 
           0.08949964       0.87303411       0.46375209 
           0.36083238       0.86879363       0.22868298 
           0.34760957       0.83943464       0.53966595 
           0.62600777       0.17023984       0.38691789 
           0.87067861       0.09595276       0.30838933 
           0.81406370       0.12268946       0.61714178 
           0.59787827       0.36605021       0.14872651 
           0.60123133       0.42172963       0.46117371 
           0.84811398       0.34459819       0.22967534 
           0.84085128       0.35391899       0.53644129 
           0.63338647       0.67586567       0.38533389 
           0.87707606       0.60166954       0.30526339 
           0.80717093       0.65003113       0.64946108 
           0.60518486       0.86657582       0.14778890 
           0.59125152       0.92192184       0.46341418 
           0.85821157       0.84734981       0.22662373 
           0.84255388       0.85491117       0.54502960 
           0.96263598       0.38790102       0.65226330 
           0.54282374       0.22197036       0.64580828 
           0.07268431       0.01426124       0.10354159 
           0.08259888       0.02777996       0.43867789 
           0.30257050       0.23980120       0.26860393 
           0.28974547       0.18495598       0.55265140 
           0.15551420       0.26772048       0.10779078 
           0.15728394       0.27561409       0.41517893 
           0.41927052       0.48862061       0.26808135 
           0.36148134       0.43438092       0.59496487 
           0.46628227       0.30796732       0.18428126 
           0.44954149       0.37397793       0.48085055 
           0.22381553       0.43455125       0.19459626 
           0.20189009       0.40681123       0.51313954 
           0.26844007       0.06930169       0.35648968 
           0.15239950       0.06496350       0.64029852 
           0.01511362       0.14374265       0.33632174 
           0.89802791       0.22974631       0.65896462 
           0.05188869       0.51937982       0.10990480 
           0.07200010       0.52613577       0.43146239 
           0.30942338       0.74120039       0.26842747 
           0.38349219       0.68892510       0.56601540 
           0.16690237       0.76166179       0.10684932 
           0.14514536       0.77733408       0.41232046 
           0.42285491       0.99129192       0.26849503 
           0.37754113       0.94606262       0.59156340 
           0.47769999       0.80844720       0.18578886 
           0.44094120       0.86928563       0.48383326 
           0.23462119       0.93402696       0.19236692 
           0.18853282       0.85966189       0.51992037 
           0.27818390       0.57641443       0.35861716 
           0.02983025       0.64135222       0.32718108 
           0.91417897       0.53656099       0.67952577 
           0.55907346       0.98685992       0.10471028 
           0.57665078       0.07930714       0.44169682 
           0.81853883       0.19396309       0.25668582 
           0.78445270       0.20321641       0.55688102 
           0.65160043       0.23587285       0.10847340 
           0.65991763       0.32373992       0.41040808 
           0.88018565       0.44393707       0.28375510 
           0.92987822       0.42659411       0.58577900 
           0.97622476       0.32837070       0.18609188 
           0.94756418       0.32554413       0.48732225 
           0.71737372       0.40436037       0.19474598 
           0.70768922       0.43549835       0.51462253 
           0.75991065       0.09655255       0.36002571 
           0.66556943       0.10269383       0.64974108 
           0.50936663       0.18500783       0.33811945 
           0.39318381       0.15700137       0.66118234 
           0.55530587       0.48805297       0.10591757 
           0.58897469       0.57807758       0.43826672 
           0.82726354       0.69474173       0.25162687 
           0.83993718       0.71692070       0.58521272 
           0.65571632       0.73492053       0.10770955 
           0.64954935       0.82977551       0.41112926 
           0.89067403       0.94366481       0.28177153 
           0.88667850       0.97900718       0.59394925 
           0.98621251       0.83367283       0.18306450 
           0.93776017       0.82765226       0.48620603 
           0.72788062       0.90858966       0.19183166 
           0.69446238       0.90588922       0.51934771 
           0.77732636       0.62107765       0.35997536 
           0.66465678       0.56269231       0.64230897 
           0.52129196       0.68049826       0.33441481 
           0.43144544       0.58175185       0.67683810 
           0.57427103       0.35832779       0.68320030 
           0.53138009       0.25251010       0.57579377 
           0.80294361       0.77209491       0.69710439 
           0.11913246       0.37288054       0.67599051 
           0.18720594       0.64757730       0.63804088 
           0.10426258       0.11111789       0.10765007 
           0.20083562       0.29687337       0.07292948 
           0.09705078       0.61115705       0.10994503 
           0.21114957       0.78718352       0.07124813 
           0.59346731       0.08298867       0.10842738 
           0.69021077       0.26312168       0.07197035 
           0.59373762       0.58269097       0.10869939 
           0.69569948       0.76085574       0.07129366 
           0.61232906       0.22152673       0.55409047 
           0.08057782       0.01074087       0.62187879 
           0.74449944       0.85081495       0.69010099 
           0.15248199       0.27851142       0.67883919 
           0.13874775       0.60101941       0.66883766 
           0.42276977       0.63265399       0.71421560 
           0.57680742       0.50517224       0.68534539 
           0.57391134       0.56338961       0.74891434 
   
  
  
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         114 
  
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       613.61400000
         0.00001000
       38
       10
      336
       -1
       -1
       552.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     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
   
  
  
       48
       48
      120
       96
       96
      240
    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      0.32000000      0.82000000      0.72000000
      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      1.00000000     10.81100000     18.99800000
         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
        11.70789335
         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  
  
 
 
       114 
         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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    B    4
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      30Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      68O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      14H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           9.74432000       0.00000000       0.00000000 
           0.00000000       9.74432000       0.00000000 
           0.00000000       0.00000000      23.42768000 
   
      2224.49973600 
   
           0.10262389       0.00000000       0.00000000 
           0.00000000       0.10262389       0.00000000 
           0.00000000       0.00000000       0.04268455 
   
  
  
          0.12926248       0.12710443       0.38620396 
          0.37493163       0.12100298       0.30733970 
          0.30060338       0.08792127       0.60960914 
          0.10164169       0.39454790       0.14986445 
          0.09463753       0.37900200       0.46275535 
          0.35268095       0.36788990       0.22881764 
          0.34712623       0.34060536       0.53627982 
          0.13006779       0.62822889       0.38216209 
          0.38082447       0.62129888       0.30685021 
          0.33432710       0.58781083       0.61727724 
          0.11472835       0.89306258       0.14677146 
          0.08949964       0.87303411       0.46375209 
          0.36083238       0.86879363       0.22868298 
          0.34760957       0.83943464       0.53966595 
          0.62600777       0.17023984       0.38691789 
          0.87067861       0.09595276       0.30838933 
          0.81406370       0.12268946       0.61714178 
          0.59787827       0.36605021       0.14872651 
          0.60123133       0.42172963       0.46117371 
          0.84811398       0.34459819       0.22967534 
          0.84085128       0.35391899       0.53644129 
          0.63338647       0.67586567       0.38533389 
          0.87707606       0.60166954       0.30526339 
          0.80717093       0.65003113       0.64946108 
          0.60518486       0.86657582       0.14778890 
          0.59125152       0.92192184       0.46341418 
          0.85821157       0.84734981       0.22662373 
          0.84255388       0.85491117       0.54502960 
          0.96263598       0.38790102       0.65226330 
          0.54282374       0.22197036       0.64580828 
          0.07268431       0.01426124       0.10354159 
          0.08259888       0.02777996       0.43867789 
          0.30257050       0.23980120       0.26860393 
          0.28974547       0.18495598       0.55265140 
          0.15551420       0.26772048       0.10779078 
          0.15728394       0.27561409       0.41517893 
          0.41927052       0.48862061       0.26808135 
          0.36148134       0.43438092       0.59496487 
          0.46628227       0.30796732       0.18428126 
          0.44954149       0.37397793       0.48085055 
          0.22381553       0.43455125       0.19459626 
          0.20189009       0.40681123       0.51313954 
          0.26844007       0.06930169       0.35648968 
          0.15239950       0.06496350       0.64029852 
          0.01511362       0.14374265       0.33632174 
          0.89802791       0.22974631       0.65896462 
          0.05188869       0.51937982       0.10990480 
          0.07200010       0.52613577       0.43146239 
          0.30942338       0.74120039       0.26842747 
          0.38349219       0.68892510       0.56601540 
          0.16690237       0.76166179       0.10684932 
          0.14514536       0.77733408       0.41232046 
          0.42285491       0.99129192       0.26849503 
          0.37754113       0.94606262       0.59156340 
          0.47769999       0.80844720       0.18578886 
          0.44094120       0.86928563       0.48383326 
          0.23462119       0.93402696       0.19236692 
          0.18853282       0.85966189       0.51992037 
          0.27818390       0.57641443       0.35861716 
          0.02983025       0.64135222       0.32718108 
          0.91417897       0.53656099       0.67952577 
          0.55907346       0.98685992       0.10471028 
          0.57665078       0.07930714       0.44169682 
          0.81853883       0.19396309       0.25668582 
          0.78445270       0.20321641       0.55688102 
          0.65160043       0.23587285       0.10847340 
          0.65991763       0.32373992       0.41040808 
          0.88018565       0.44393707       0.28375510 
          0.92987822       0.42659411       0.58577900 
          0.97622476       0.32837070       0.18609188 
          0.94756418       0.32554413       0.48732225 
          0.71737372       0.40436037       0.19474598 
          0.70768922       0.43549835       0.51462253 
          0.75991065       0.09655255       0.36002571 
          0.66556943       0.10269383       0.64974108 
          0.50936663       0.18500783       0.33811945 
          0.39318381       0.15700137       0.66118234 
          0.55530587       0.48805297       0.10591757 
          0.58897469       0.57807758       0.43826672 
          0.82726354       0.69474173       0.25162687 
          0.83993718       0.71692070       0.58521272 
          0.65571632       0.73492053       0.10770955 
          0.64954935       0.82977551       0.41112926 
          0.89067403       0.94366481       0.28177153 
          0.88667850       0.97900718       0.59394925 
          0.98621251       0.83367283       0.18306450 
          0.93776017       0.82765226       0.48620603 
          0.72788062       0.90858966       0.19183166 
          0.69446238       0.90588922       0.51934771 
          0.77732636       0.62107765       0.35997536 
          0.66465678       0.56269231       0.64230897 
          0.52129196       0.68049826       0.33441481 
          0.43144544       0.58175185       0.67683810 
          0.57427103       0.35832779       0.68320030 
          0.53138009       0.25251010       0.57579377 
          0.80294361       0.77209491       0.69710439 
          0.11913246       0.37288054       0.67599051 
          0.18720594       0.64757730       0.63804088 
          0.10426258       0.11111789       0.10765007 
          0.20083562       0.29687337       0.07292948 
          0.09705078       0.61115705       0.10994503 
          0.21114957       0.78718352       0.07124813 
          0.59346731       0.08298867       0.10842738 
          0.69021077       0.26312168       0.07197035 
          0.59373762       0.58269097       0.10869939 
          0.69569948       0.76085574       0.07129366 
          0.61232906       0.22152673       0.55409047 
          0.08057782       0.01074087       0.62187879 
          0.74449944       0.85081495       0.69010099 
          0.15248199       0.27851142       0.67883919 
          0.13874775       0.60101941       0.66883766 
          0.42276977       0.63265399       0.71421560 
          0.57680742       0.50517224       0.68534539 
          0.57391134       0.56338961       0.74891434 
  
  
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
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     T  T  T 
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     F  F  F 
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     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      26.54   26.54
      27.04   27.04
   
        473.81405041 
      49883.32755504 
     -79703.66258165 
       1709.44023034 
      26821.66247716 
     -26420.54417613 
          0.02296257 
      -1964.57547996 
      33391.18858154 
       4190.67361930 
       4190.65065674 
       4190.66596511 
   
  
  
      29.70   29.70
      29.70   29.70
   
       -411.83202244 
       -411.83578895 
       -411.83327794 
   
  
  
      28.25   28.26
      28.25   28.26
   
       -922.34838399 
       -922.43150983 
       -922.37609260 
   
  
  
      28.38   28.38
      28.38   28.38
   
       -934.64260216 
       -934.72673857 
       -934.67064763 
   
  
  
      28.59   28.59
      28.77   28.78
   
       -935.03016486 
       -935.11391647 
       -935.05808206 
   
  
  
      27.87   27.87
      28.53   28.53
   
       -830.43133799 
       -830.52060668 
       -830.46109422 
   
  
  
      30.72   30.72
      31.41   31.42
   
       -830.02922111 
       -830.10945683 
       -830.05596635 
   
  
  
      29.86   29.89
      30.54   30.56
   
       -829.72610715 
       -829.78104726 
       -829.74442052 
   
  
  
      28.80   28.80
      29.59   29.60
   
       -829.69637476 
       -829.76511834 
       -829.71928928 
   
  
  
      30.84   30.84
      31.67   31.67
   
       -829.68081221 
       -829.76065025 
       -829.70742489 
   
  
  
      30.48   30.50
      31.19   31.21
   
       -829.67862994 
       -829.75251840 
       -829.70325943 
   
  
  
      32.57   32.59
      33.27   33.28
   
       -829.66849241 
       -829.75936668 
       -829.69878383 
   
  
  
      28.48   28.52
      29.30   29.34
   
       -829.65797388 
       -829.74667000 
       -829.68753925 
   
  
  
      28.41   28.44
      29.12   29.16
   
       -829.65725272 
       -829.74876962 
       -829.68775836 
   
  
  
      29.86   29.88
      30.61   30.63
   
       -829.65707000 
       -829.74870388 
       -829.68761462 
   
  
  
      28.50   28.51
      29.17   29.19
   
       -829.65712916 
       -829.75263721 
       -829.68896518 
   
  
  
      28.31   28.34
      29.01   29.03
   
       -829.65781475 
       -829.75574623 
       -829.69045857 
   
  
  
      28.21   28.23
      28.89   28.92
   
       -829.65978154 
       -829.75971497 
       -829.69309268