vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 09 
  17:41:06 
 
 
  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      0.77000000      0.32000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000       5.41863000 
    
       1051.63255568 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.18454849 
    
   
   
           0.90948885       0.11738865       0.94151210 
           0.65741005       0.31282733       0.34875175 
           0.08616325       0.74907863       0.05243848 
           0.64887300       0.28393908       0.99575652 
           0.14840258       0.54700851       0.67960639 
           0.13780775       0.47397994       0.44811984 
           0.05241012       0.69646548       0.32713044 
           0.20089660       0.92792615       0.12759877 
           0.95645230       0.60409742       0.24353900 
           0.73805525       0.30718652       0.85753893 
           0.28887808       0.91931261       0.15417935 
           0.88341194       0.19623734       0.03118883 
           0.07518614       0.26215275       0.82388702 
           0.15340760       0.96930575       0.12825916 
           0.89123442       0.62496651       0.96318747 
           0.17614047       0.88417877       0.19075485 
           0.64777599       0.97343892       0.30098615 
           0.00178380       0.31534649       0.94767256 
           0.64692306       0.32300349       0.99564774 
           0.46951688       0.56912401       0.76658936 
           0.42936931       0.95627312       0.24377124 
           0.16133632       0.88405813       0.06725892 
           0.57121330       0.03356950       0.19190220 
           0.02154291       0.51452460       0.28190591 
           0.16697111       0.60297902       0.55494207 
           0.97791903       0.23008493       0.01590736 
           0.65953888       0.54909108       0.64372977 
           0.65890310       0.99206964       0.10693207 
           0.76077032       0.40207180       0.23515589 
           0.38540330       0.40032985       0.51500370 
           0.68386423       0.96796011       0.53290915 
           0.72360266       0.09348090       0.80521543 
           0.62040140       0.14519621       0.32011288 
           0.56739242       0.38929045       0.84511751 
           0.90299696       0.30731748       0.31981326 
           0.38052831       0.03923092       0.75325340 
           0.39748462       0.95140996       0.22486925 
           0.01264370       0.79403191       0.80276394 
           0.31801369       0.24198285       0.79579015 
           0.03072801       0.26931559       0.60843173 
           0.59149835       0.98171264       0.53894969 
           0.96856101       0.94664102       0.03849192 
           0.36196371       0.49479410       0.94093017 
           0.94781884       0.58957155       0.77866322 
   
  
  
           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 
  
 
 
  
          2        1        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.33333333 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.33333333 
          0.50000000       0.00000000       0.33333333 
  
  
          0.16666667 
          0.16666667 
          0.33333333 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      108
       -1
       -1
       168.00000000
        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
     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
           0.00000002
           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
       28
       80
      252
       56
    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      0.77000000      0.32000000      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     12.01100000      1.00000000     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
        14.34044394
         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  
  
 
 
        44 
         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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      25Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       9H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000       5.41863000 
   
      1051.63255568 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.18454849 
   
  
  
          0.90948885       0.11738865       0.94151210 
          0.65741005       0.31282733       0.34875175 
          0.08616325       0.74907863       0.05243848 
          0.64887300       0.28393908       0.99575652 
          0.14840258       0.54700851       0.67960639 
          0.13780775       0.47397994       0.44811984 
          0.05241012       0.69646548       0.32713044 
          0.20089660       0.92792615       0.12759877 
          0.95645230       0.60409742       0.24353900 
          0.73805525       0.30718652       0.85753893 
          0.28887808       0.91931261       0.15417935 
          0.88341194       0.19623734       0.03118883 
          0.07518614       0.26215275       0.82388702 
          0.15340760       0.96930575       0.12825916 
          0.89123442       0.62496651       0.96318747 
          0.17614047       0.88417877       0.19075485 
          0.64777599       0.97343892       0.30098615 
          0.00178380       0.31534649       0.94767256 
          0.64692306       0.32300349       0.99564774 
          0.46951688       0.56912401       0.76658936 
          0.42936931       0.95627312       0.24377124 
          0.16133632       0.88405813       0.06725892 
          0.57121330       0.03356950       0.19190220 
          0.02154291       0.51452460       0.28190591 
          0.16697111       0.60297902       0.55494207 
          0.97791903       0.23008493       0.01590736 
          0.65953888       0.54909108       0.64372977 
          0.65890310       0.99206964       0.10693207 
          0.76077032       0.40207180       0.23515589 
          0.38540330       0.40032985       0.51500370 
          0.68386423       0.96796011       0.53290915 
          0.72360266       0.09348090       0.80521543 
          0.62040140       0.14519621       0.32011288 
          0.56739242       0.38929045       0.84511751 
          0.90299696       0.30731748       0.31981326 
          0.38052831       0.03923092       0.75325340 
          0.39748462       0.95140996       0.22486925 
          0.01264370       0.79403191       0.80276394 
          0.31801369       0.24198285       0.79579015 
          0.03072801       0.26931559       0.60843173 
          0.59149835       0.98171264       0.53894969 
          0.96856101       0.94664102       0.03849192 
          0.36196371       0.49479410       0.94093017 
          0.94781884       0.58957155       0.77866322 
  
 
 
  
       6.79    6.92
       6.94    7.07
   
         74.00007382 
        540.70710057 
      -5735.38282162 
         60.12906085 
       5642.42690935 
      -5222.73511433 
         -0.03033856 
       -383.21749337 
       6953.63384995 
       1929.53122665 
       1929.56156521 
       1929.54133950 
   
  
  
       9.37    9.37
       9.37    9.37
   
        657.86745459 
        657.85294118 
        657.86261678 
   
  
  
      10.19   10.19
      10.19   10.20
   
        389.77335471 
        389.72797063 
        389.75822669 
   
  
  
       9.26    9.27
       9.26    9.27
   
        371.24014648 
        371.20959252 
        371.22996183 
   
  
  
       9.18    9.19
       9.21    9.21
   
        370.52477252 
        370.49276946 
        370.51410484 
   
  
  
      10.09   10.10
      10.24   10.25
   
        338.62493821 
        338.61970307 
        338.62319316 
   
  
  
      11.52   11.53
      11.67   11.68
   
       -462.52361761 
       -462.54044270 
       -462.52922597 
   
  
  
       8.96    8.96
       9.12    9.13
   
      -2377.50439799 
      -2377.46426816 
      -2377.49102138 
   
  
  
       8.87    8.87
       9.02    9.02
   
      -1525.52042932 
      -1525.51479140 
      -1525.51855001 
   
  
  
       8.77    8.78
       8.93    8.94
   
      -1314.00205604 
      -1313.95133656 
      -1313.98514955 
   
  
  
       9.09    9.09
       9.24    9.24
   
      -1330.86818852 
      -1330.88421470 
      -1330.87353058 
   
  
  
       9.58    9.59
       9.74    9.74
   
      -1325.86685104 
      -1325.88948141 
      -1325.87439450 
   
  
  
       8.14    8.14
       8.29    8.29
   
       -730.41204655 
       -730.43800561 
       -730.42069957 
   
  
  
       9.90    9.91
      10.07   10.08
   
        519.28622279 
        519.29460228 
        519.28901595 
   
  
  
       9.63    9.64
       9.77    9.78
   
        192.93012594 
        192.93781495 
        192.93268894 
   
  
  
       8.68    8.69
       8.82    8.83
   
       -639.01783054 
       -639.04296608 
       -639.02620906 
   
  
  
       8.60    8.61
       8.74    8.75
   
       -708.54378546 
       -708.58741973 
       -708.55833021 
   
  
  
       9.21    9.22
       9.36    9.37
   
       -736.48116381 
       -736.44771928 
       -736.47001563 
   
  
  
       8.28    8.29
       8.43    8.44
   
       -648.05780226 
       -648.05512921 
       -648.05691124 
   
  
  
       8.06    8.06
       8.21    8.22
   
       -204.57911432 
       -204.52023474 
       -204.55948780 
   
  
  
       8.67    8.67
       8.82    8.82
   
       -346.61164265 
       -346.57048130 
       -346.59792220 
   
  
  
       8.76    8.76
       8.93    8.93
   
       -270.39798569 
       -270.37947027 
       -270.39181388 
   
  
  
       8.21    8.22
       8.36    8.36
   
       -314.63672325 
       -314.58587131 
       -314.61977260 
   
  
  
       8.85    8.86
       9.00    9.01
   
       -252.89534820 
       -252.81951017 
       -252.87006885 
   
  
  
      10.00   10.01
      10.15   10.16
   
       -811.70232672 
       -811.71685756 
       -811.70717034 
   
  
  
       8.60    8.60
       8.75    8.75
   
     -11815.57730236 
     -11815.57755854 
     -11815.57738775 
   
  
  
       7.69    7.70
       7.84    7.85
   
         84.52654206 
         84.56013289 
         84.53773900 
   
  
  
       6.92    6.93
       7.07    7.08
   
        368.12860163 
        368.13110934 
        368.12943754 
   
  
  
       4.94    4.94
       5.09    5.09
   
       2819.94709783 
       2819.97289335 
       2819.95569633 
   
  
  
       5.29    5.30
       5.44    5.44
   
        316.03588250 
        315.98872462 
        316.02016321 
   
  
  
       6.52    6.52
       6.67    6.67
   
        269.03846499 
        269.07058237 
        269.04917078 
   
  
  
       6.50    6.50
       6.65    6.65
   
        272.17381409 
        272.20307609 
        272.18356809 
   
  
  
       6.39    6.40
       6.54    6.55
   
        182.25997014 
        182.28937315 
        182.26977115 
   
  
  
       6.18    6.18
       6.35    6.35
   
        357.59869856 
        357.54014378 
        357.57918030 
   
  
  
       4.67    4.67
       4.82    4.82
   
        493.06783181 
        493.10026615 
        493.07864326 
   
  
  
       4.11    4.11
       4.26    4.26
   
        421.10375482 
        421.11247306 
        421.10666090 
   
  
  
       4.04    4.05
       4.20    4.21
   
        463.13156634 
        463.14779321 
        463.13697530 
   
  
  
       3.67    3.68
       3.82    3.82
   
        337.44623717 
        337.44245554 
        337.44497663 
   
  
  
       2.52    2.52
       2.66    2.67
   
        495.34076145 
        495.36581181 
        495.34911157 
   
  
  
       3.59    3.59
       3.73    3.74
   
        120.21747900 
        120.26045266 
        120.23180355 
   
  
  
       2.88    2.89
       3.03    3.03
   
         -2.08003515 
         -2.12907826 
         -2.09638285 
   
  
  
       2.93    2.93
       3.07    3.08
   
        468.97690538 
        468.96813191 
        468.97398089 
   
  
  
       3.33    3.33
       3.47    3.48
   
       -199.99908207 
       -200.05228498 
       -200.01681637 
   
  
  
       2.76    2.76
       2.91    2.92
   
        468.07619302 
        468.07710427 
        468.07649677 
   
  
  
       2.75    2.76
       2.91    2.91
   
        455.49473365 
        455.46274172 
        455.48406968 
   
  
  
       2.88    2.89
       3.03    3.04
   
        443.68404744 
        443.65957742 
        443.67589077 
   
  
  
       3.50    3.51
       3.65    3.67
   
       -700.69039088 
       -700.72380509 
       -700.70152895 
   
  
  
       2.95    2.95
       3.11    3.11
   
        525.34955590 
        525.36152882 
        525.35354688 
   
  
  
       2.83    2.83
       2.98    2.99
   
        414.44022734 
        414.43138183 
        414.43727883 
   
  
  
       2.73    2.73
       2.89    2.89
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.17    3.18
       3.32    3.33
   
        529.63460770 
        529.63986753 
        529.63636098 
   
  
  
       2.94    2.95
       3.10    3.10
   
        546.38493774 
        546.40421201 
        546.39136250 
   
  
  
       3.11    3.12
       3.26    3.27
   
       -939.51083648 
       -939.47573667 
       -939.49913654 
   
  
  
       2.90    2.91
       3.05    3.06
   
     -28336.28572358 
     -28336.27132039 
     -28336.28092252 
   
  
  
       1.90    2.01
       2.05    2.17
   
       -864.13621501 
       -864.14216024 
       -864.13819676 
   
  
  
       1.90    1.91
       2.05    2.06
   
       -826.36483501 
       -826.38469886 
       -826.37145629 
   
  
  
       1.75    1.75
       1.90    1.90
   
      -1944.15366879 
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       1.62    1.63
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      -1132.18864103 
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       1.78    1.79
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      -2199.29247609 
      -2199.28326061 
      -2199.28940427 
   
  
  
       1.63    1.64
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     -78974.89471842 
     -78974.87789441 
     -78974.88911042 
   
  
  
       1.74    1.74
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      -2177.17701352 
      -2177.15993245 
      -2177.17131983 
   
  
  
       1.92    1.93
       2.09    2.09
   
     -71159.98347287 
     -71159.98173194 
     -71159.98289256 
   
  
  
       1.80    1.80
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      -2389.08318533 
      -2389.08295081 
      -2389.08310716 
   
  
  
       1.78    1.78
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     -74083.81938058 
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     -74083.80563170 
   
  
  
       1.85    1.85
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    -140031.66093804 
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       1.44    1.45
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     -16693.23304570 
     -16693.20828879 
     -16693.22479340 
   
  
  
       1.80    1.80
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     -15129.38505734 
     -15129.40272625 
     -15129.39094698 
   
  
  
       1.69    1.69
       1.83    1.84
   
     -95451.58387995 
     -95451.58995433 
     -95451.58590475 
   
  
  
       1.67    1.67
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    -158537.70088745 
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       1.86    1.86
       2.01    2.01
   
    -230833.67940628 
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    -230833.68143229 
   
  
  
       1.84    1.85
       1.99    2.00
   
     -56537.40239708 
     -56537.41420223 
     -56537.40633213 
   
  
  
       1.68    1.69
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    -147317.50081822 
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    -147317.49158966 
   
  
  
       1.75    1.76
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    -328828.99820408 
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       1.68    1.68
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    -491909.68132279 
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       1.73    1.73
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    -167707.08442093 
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       1.79    1.80
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    -610468.98789974 
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    -610468.98746191 
   
  
  
       1.77    1.78
       1.92    1.92
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.73    1.73
       1.88    1.88
   
    -578892.56745598 
    -578892.55559685 
    -578892.56350294 
   
  
  
       1.66    1.66
       1.80    1.80
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.87    1.88
       2.02    2.03
   
    -980391.16491596 
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       1.62    1.63
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    -967130.89774828 
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       1.69    1.70
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    -779192.42676842 
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    -779192.42388958 
   
  
  
       1.71    1.72
       1.86    1.87
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.66    1.67
       1.81    1.82
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.60    1.60
       1.75    1.75
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.81    1.82
       1.97    1.97
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.63    1.63
       1.78    1.78
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.75    1.76
       1.90    1.91
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.77    0.77
       0.92    0.92
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.77    0.77
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    -777369.56709211 
    -777369.58161893 
    -777369.57193439 
   
  
  
       0.82    0.92
       0.97    1.07
   
    **************** 
    **************** 
    ****************