vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 09 27 
  14:17:34 
 
 
   No title
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      242.67600000
        1.30000000      1.41000000
   Auto
       1
        0.20000000
       1
   F  
   F  
       4
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
           9.39666000       0.00000000       0.00000000 
           0.00000000       9.39666000       0.00000000 
           0.00000000       0.00000000      28.79330000 
   
      2542.36832031 
   
           0.10642079       0.00000000       0.00000000 
           0.00000000       0.10642079       0.00000000 
           0.00000000       0.00000000       0.03473030 
   
  
  
          0.08275916       0.08389983       0.20058911 
          0.93323475       0.98827060       0.84791612 
          0.08275916       0.08389983       0.52694136 
          0.24942583       0.25056650       0.47254994 
          0.08275916       0.08389983       0.41815853 
          0.24942583       0.25056650       0.58133277 
          0.29186141       0.89906025       0.64860475 
          0.24942583       0.25056650       0.25498365 
          0.08275916       0.08389983       0.30937570 
          0.24942583       0.25056650       0.69011560 
          0.08275916       0.08389983       0.63572419 
          0.24942583       0.25056650       0.36376711 
          0.08275916       0.41723317       0.20058911 
          0.78907010       0.74979889       0.97604853 
          0.08275916       0.41723317       0.52694136 
          0.24942583       0.58389983       0.47254994 
          0.08275916       0.41723317       0.41815853 
          0.24942583       0.58389983       0.58133277 
          0.83206788       0.94630243       0.71696436 
          0.24942583       0.58389983       0.25498365 
          0.08275916       0.41723317       0.30937570 
          0.24942583       0.58389983       0.69011560 
          0.08275916       0.41723317       0.63572419 
          0.24942583       0.58389983       0.36376711 
          0.08275916       0.75056650       0.20058911 
          0.62828474       0.54597858       0.91506219 
          0.08275916       0.75056650       0.52694136 
          0.24942583       0.91723317       0.47254994 
          0.08275916       0.75056650       0.41815853 
          0.24942583       0.91723317       0.58133277 
          0.52589475       0.66159149       0.55089678 
          0.24942583       0.91723317       0.25498365 
          0.08275916       0.75056650       0.30937570 
          0.24942583       0.91723317       0.69011560 
          0.08275916       0.75056650       0.63572419 
          0.24942583       0.91723317       0.36376711 
          0.41609250       0.08389983       0.20058911 
          0.38888097       0.21726334       0.77121795 
          0.41609250       0.08389983       0.52694136 
          0.58275916       0.25056650       0.47254994 
          0.41609250       0.08389983       0.41815853 
          0.58275916       0.25056650       0.58133277 
          0.50038217       0.61151386       0.55365489 
          0.58275916       0.25056650       0.25498365 
          0.41609250       0.08389983       0.30937570 
          0.58275916       0.25056650       0.69011560 
          0.41609250       0.08389983       0.63572419 
          0.58275916       0.25056650       0.36376711 
          0.41609250       0.41723317       0.20058911 
          0.43724419       0.75252302       0.54549674 
          0.41609250       0.41723317       0.52694136 
          0.58275916       0.58389983       0.47254994 
          0.41609250       0.41723317       0.41815853 
          0.58275916       0.58389983       0.58133277 
          0.65683309       0.57209051       0.70563595 
          0.58275916       0.58389983       0.25498365 
          0.41609250       0.41723317       0.30937570 
          0.58275916       0.58389983       0.69011560 
          0.41609250       0.41723317       0.63572419 
          0.58275916       0.58389983       0.36376711 
          0.41609250       0.75056650       0.20058911 
          0.40009188       0.37599650       0.97683194 
          0.41609250       0.75056650       0.52694136 
          0.58275916       0.91723317       0.47254994 
          0.41609250       0.75056650       0.41815853 
          0.58275916       0.91723317       0.58133277 
          0.92178194       0.26321154       0.82197080 
          0.58275916       0.91723317       0.25498365 
          0.41609250       0.75056650       0.30937570 
          0.58275916       0.91723317       0.69011560 
          0.41609250       0.75056650       0.63572419 
          0.58275916       0.91723317       0.36376711 
          0.74942583       0.08389983       0.20058911 
          0.77895728       0.43724416       0.40279468 
          0.74942583       0.08389983       0.52694136 
          0.91609250       0.25056650       0.47254994 
          0.74942583       0.08389983       0.41815853 
          0.91609250       0.25056650       0.58133277 
          0.23585852       0.33571418       0.71564130 
          0.91609250       0.25056650       0.25498365 
          0.74942583       0.08389983       0.30937570 
          0.91609250       0.25056650       0.69011560 
          0.74942583       0.08389983       0.63572419 
          0.91609250       0.25056650       0.36376711 
          0.74942583       0.41723317       0.20058911 
          0.90418189       0.73900492       0.77044643 
          0.74942583       0.41723317       0.52694136 
          0.91609250       0.58389983       0.47254994 
          0.74942583       0.41723317       0.41815853 
          0.91609250       0.58389983       0.58133277 
          0.62626826       0.56167135       0.40409329 
          0.91609250       0.58389983       0.25498365 
          0.74942583       0.41723317       0.30937570 
          0.91609250       0.58389983       0.69011560 
          0.74942583       0.41723317       0.63572419 
          0.91609250       0.58389983       0.36376711 
          0.74942583       0.75056650       0.20058911 
          0.17404390       0.20896520       0.84002441 
          0.74942583       0.75056650       0.52694136 
          0.91609250       0.91723317       0.47254994 
          0.74942583       0.75056650       0.41815853 
          0.91609250       0.91723317       0.58133277 
          0.60553499       0.51634702       0.71006353 
          0.91609250       0.91723317       0.25498365 
          0.74942583       0.75056650       0.30937570 
          0.91609250       0.91723317       0.69011560 
          0.74942583       0.75056650       0.63572419 
          0.91609250       0.91723317       0.36376711 
          0.95924100       0.20830780       0.76809063 
  
 
 
          1 
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        100 
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        108 
        109 
 
 
  
          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
       242.67600000
       446.01400000
         0.00001000
       38
       10
      916
       -1
       -1
      1526.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        242.67600000
    
      T  
      F  
           0.00000000
           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
   
  
  
       36
       36
      112
       72
       72
      224
    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
         1.30000000      1.41000000
      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  
        95.94000000    118.71000000
         0.00000000      0.00000000
         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
        13.99468800
         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
       60
        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
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       109 
         2 
  
   ion
   element
   atomtype
   
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Sn   2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     108Mo     95.94000000     14.00000000  PAW_PBE Mo_sv 02Feb2006               
       1Sn    118.71000000     14.00000000  PAW_PBE Sn_d 06Sep2000                
   
  
 
 
  
   
           9.39666000       0.00000000       0.00000000 
           0.00000000       9.39666000       0.00000000 
           0.00000000       0.00000000      28.79330000 
   
      2542.36832031 
   
           0.10642079       0.00000000       0.00000000 
           0.00000000       0.10642079       0.00000000 
           0.00000000       0.00000000       0.03473030 
   
  
  
          0.08275916       0.08389983       0.20058911 
          0.93323475       0.98827060       0.84791612 
          0.08275916       0.08389983       0.52694136 
          0.24942583       0.25056650       0.47254994 
          0.08275916       0.08389983       0.41815853 
          0.24942583       0.25056650       0.58133277 
          0.29186141       0.89906025       0.64860475 
          0.24942583       0.25056650       0.25498365 
          0.08275916       0.08389983       0.30937570 
          0.24942583       0.25056650       0.69011560 
          0.08275916       0.08389983       0.63572419 
          0.24942583       0.25056650       0.36376711 
          0.08275916       0.41723317       0.20058911 
          0.78907010       0.74979889       0.97604853 
          0.08275916       0.41723317       0.52694136 
          0.24942583       0.58389983       0.47254994 
          0.08275916       0.41723317       0.41815853 
          0.24942583       0.58389983       0.58133277 
          0.83206788       0.94630243       0.71696436 
          0.24942583       0.58389983       0.25498365 
          0.08275916       0.41723317       0.30937570 
          0.24942583       0.58389983       0.69011560 
          0.08275916       0.41723317       0.63572419 
          0.24942583       0.58389983       0.36376711 
          0.08275916       0.75056650       0.20058911 
          0.62828474       0.54597858       0.91506219 
          0.08275916       0.75056650       0.52694136 
          0.24942583       0.91723317       0.47254994 
          0.08275916       0.75056650       0.41815853 
          0.24942583       0.91723317       0.58133277 
          0.52589475       0.66159149       0.55089678 
          0.24942583       0.91723317       0.25498365 
          0.08275916       0.75056650       0.30937570 
          0.24942583       0.91723317       0.69011560 
          0.08275916       0.75056650       0.63572419 
          0.24942583       0.91723317       0.36376711 
          0.41609250       0.08389983       0.20058911 
          0.38888097       0.21726334       0.77121795 
          0.41609250       0.08389983       0.52694136 
          0.58275916       0.25056650       0.47254994 
          0.41609250       0.08389983       0.41815853 
          0.58275916       0.25056650       0.58133277 
          0.50038217       0.61151386       0.55365489 
          0.58275916       0.25056650       0.25498365 
          0.41609250       0.08389983       0.30937570 
          0.58275916       0.25056650       0.69011560 
          0.41609250       0.08389983       0.63572419 
          0.58275916       0.25056650       0.36376711 
          0.41609250       0.41723317       0.20058911 
          0.43724419       0.75252302       0.54549674 
          0.41609250       0.41723317       0.52694136 
          0.58275916       0.58389983       0.47254994 
          0.41609250       0.41723317       0.41815853 
          0.58275916       0.58389983       0.58133277 
          0.65683309       0.57209051       0.70563595 
          0.58275916       0.58389983       0.25498365 
          0.41609250       0.41723317       0.30937570 
          0.58275916       0.58389983       0.69011560 
          0.41609250       0.41723317       0.63572419 
          0.58275916       0.58389983       0.36376711 
          0.41609250       0.75056650       0.20058911 
          0.40009188       0.37599650       0.97683194 
          0.41609250       0.75056650       0.52694136 
          0.58275916       0.91723317       0.47254994 
          0.41609250       0.75056650       0.41815853 
          0.58275916       0.91723317       0.58133277 
          0.92178194       0.26321154       0.82197080 
          0.58275916       0.91723317       0.25498365 
          0.41609250       0.75056650       0.30937570 
          0.58275916       0.91723317       0.69011560 
          0.41609250       0.75056650       0.63572419 
          0.58275916       0.91723317       0.36376711 
          0.74942583       0.08389983       0.20058911 
          0.77895728       0.43724416       0.40279468 
          0.74942583       0.08389983       0.52694136 
          0.91609250       0.25056650       0.47254994 
          0.74942583       0.08389983       0.41815853 
          0.91609250       0.25056650       0.58133277 
          0.23585852       0.33571418       0.71564130 
          0.91609250       0.25056650       0.25498365 
          0.74942583       0.08389983       0.30937570 
          0.91609250       0.25056650       0.69011560 
          0.74942583       0.08389983       0.63572419 
          0.91609250       0.25056650       0.36376711 
          0.74942583       0.41723317       0.20058911 
          0.90418189       0.73900492       0.77044643 
          0.74942583       0.41723317       0.52694136 
          0.91609250       0.58389983       0.47254994 
          0.74942583       0.41723317       0.41815853 
          0.91609250       0.58389983       0.58133277 
          0.62626826       0.56167135       0.40409329 
          0.91609250       0.58389983       0.25498365 
          0.74942583       0.41723317       0.30937570 
          0.91609250       0.58389983       0.69011560 
          0.74942583       0.41723317       0.63572419 
          0.91609250       0.58389983       0.36376711 
          0.74942583       0.75056650       0.20058911 
          0.17404390       0.20896520       0.84002441 
          0.74942583       0.75056650       0.52694136 
          0.91609250       0.91723317       0.47254994 
          0.74942583       0.75056650       0.41815853 
          0.91609250       0.91723317       0.58133277 
          0.60553499       0.51634702       0.71006353 
          0.91609250       0.91723317       0.25498365 
          0.74942583       0.75056650       0.30937570 
          0.91609250       0.91723317       0.69011560 
          0.74942583       0.75056650       0.63572419 
          0.91609250       0.91723317       0.36376711 
          0.95924100       0.20830780       0.76809063 
  
  
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
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     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
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     T  T  T 
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     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
     160.12  160.25
     160.45  160.58
   
       8581.08344698 
     634417.40508452 
    -816786.76928942 
       7437.34500188 
     163333.52382866 
    -161374.45513553 
         -0.00841417 
     -17319.77373240 
     203005.38856356 
      21293.73935408 
      21293.74776825 
      21293.74215880 
   
  
  
     107.12  107.19
     107.12  107.20
   
       7387.54873091 
       7387.56659770 
       7387.55468651 
   
  
  
     125.04  125.10
     125.04  125.10
   
       6582.59655911 
       6582.62139670 
       6582.60483831 
   
  
  
     123.22  123.32
     123.23  123.33
   
       6452.33423954 
       6452.35815233 
       6452.34221047 
   
  
  
     134.73  134.79
     135.45  135.51
   
       6417.06683390 
       6417.09230213 
       6417.07532331 
   
  
  
     151.34  151.41
     152.34  152.42
   
        940.80564501 
        940.83068625 
        940.81399209 
   
  
  
     156.85  156.88
     158.13  158.17
   
     -49166.60973479 
     -49166.63590719 
     -49166.61845892 
   
  
  
     129.23  129.28
     130.37  130.43
   
     -31912.43968364 
     -31912.43226659 
     -31912.43721129 
   
  
  
     142.95  143.01
     143.84  143.91
   
     -31585.38876371 
     -31585.38696866 
     -31585.38816536 
   
  
  
     151.40  151.47
     152.30  152.36
   
     -28307.65980042 
     -28307.67596499 
     -28307.66518861