vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 18 
  20:30:35 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      95
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           20.00000000       0.00000000       0.00000000 
            0.00000000      15.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       4500.00000000 
    
            0.05000000       0.00000000       0.00000000 
            0.00000000       0.06666667       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.78893846       0.40295743       0.59021052 
           0.80725500       0.42902834       0.64962458 
           0.82891319       0.41199018       0.54693021 
           0.14428210       0.51949517       0.36438710 
           0.19720613       0.61566598       0.37144888 
           0.21544324       0.52958274       0.29308833 
           0.10300240       0.55489903       0.65700517 
           0.14440077       0.64326987       0.59952411 
           0.09927675       0.56018198       0.53819628 
           0.41360110       0.43675347       0.29403675 
           0.41123603       0.34594576       0.37134760 
           0.33885062       0.41535907       0.35644607 
           0.52022814       0.27412770       0.57311979 
           0.52589649       0.34964876       0.48156761 
           0.54533334       0.38656638       0.59198405 
           0.24068998       0.69448492       0.50493728 
           0.29685067       0.67027897       0.59301382 
           0.32339018       0.65955240       0.48021607 
           0.43462200       0.62101204       0.55883330 
           0.44311891       0.55797758       0.65920479 
           0.50620492       0.55272429       0.57564973 
           0.31702042       0.44986940       0.64139521 
           0.30148041       0.38149936       0.54821474 
           0.31846493       0.44871163       0.56783318 
           0.19654399       0.54282505       0.36074217 
           0.13169752       0.57165880       0.59669971 
           0.39402120       0.41477616       0.35894145 
           0.51194311       0.34338156       0.55243942 
           0.28105235       0.64922869       0.52592441 
           0.45188822       0.55718828       0.58673754 
           0.40849067       0.45975045       0.53445421 
           0.25470115       0.52915825       0.52641001 
           0.23720673       0.49629487       0.42306179 
           0.18954673       0.51670888       0.59424072 
           0.41806476       0.47512785       0.42534985 
           0.44339344       0.36464561       0.56669315 
   
  
  
           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 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       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 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       80
       -1
       -1
        87.00000000
        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
   
   
         2
     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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        95
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000003
           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
   
  
  
       98
       80
       80
      196
      160
      160
    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
         0.75000000      0.32000000      0.77000000      1.11000000      0.73000000
      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
  
  
        2
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        14.00100000      1.00000000     12.01100000     28.08500000     16.00000000
         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
        75.00000000
         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
       95
        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  
  
 
 
        36 
         5 
  
   ion
   element
   atomtype
   
    N    1
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    C    3
    Si   4
    Si   4
    O    5
    O    5
    O    5
    O    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      22H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       7C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
          20.00000000       0.00000000       0.00000000 
           0.00000000      15.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      4500.00000000 
   
           0.05000000       0.00000000       0.00000000 
           0.00000000       0.06666667       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.78893846       0.40295743       0.59021052 
          0.80725500       0.42902834       0.64962458 
          0.82891319       0.41199018       0.54693021 
          0.14428210       0.51949517       0.36438710 
          0.19720613       0.61566598       0.37144888 
          0.21544324       0.52958274       0.29308833 
          0.10300240       0.55489903       0.65700517 
          0.14440077       0.64326987       0.59952411 
          0.09927675       0.56018198       0.53819628 
          0.41360110       0.43675347       0.29403675 
          0.41123603       0.34594576       0.37134760 
          0.33885062       0.41535907       0.35644607 
          0.52022814       0.27412770       0.57311979 
          0.52589649       0.34964876       0.48156761 
          0.54533334       0.38656638       0.59198405 
          0.24068998       0.69448492       0.50493728 
          0.29685067       0.67027897       0.59301382 
          0.32339018       0.65955240       0.48021607 
          0.43462200       0.62101204       0.55883330 
          0.44311891       0.55797758       0.65920479 
          0.50620492       0.55272429       0.57564973 
          0.31702042       0.44986940       0.64139521 
          0.30148041       0.38149936       0.54821474 
          0.31846493       0.44871163       0.56783318 
          0.19654399       0.54282505       0.36074217 
          0.13169752       0.57165880       0.59669971 
          0.39402120       0.41477616       0.35894145 
          0.51194311       0.34338156       0.55243942 
          0.28105235       0.64922869       0.52592441 
          0.45188822       0.55718828       0.58673754 
          0.40849067       0.45975045       0.53445421 
          0.25470115       0.52915825       0.52641001 
          0.23720673       0.49629487       0.42306179 
          0.18954673       0.51670888       0.59424072 
          0.41806476       0.47512785       0.42534985 
          0.44339344       0.36464561       0.56669315 
  
 
 
  
       4.62    4.73
       8.51    8.61
   
          6.34847707 
       5570.81247275 
      -8135.65418363 
        264.05254142 
       2564.72054280 
      -2541.99018201 
         -0.00189613 
       -610.15461236 
       3504.07976474 
        622.21292465 
        622.21482078 
        622.21355669 
   
  
  
       5.92    5.93
       5.92    5.93
   
         79.46353282 
         79.44630624 
         79.45779062 
   
  
  
       4.87    4.88
       4.87    4.88
   
       -147.65097105 
       -147.64900762 
       -147.65031657 
   
  
  
       4.96    4.97
       4.96    4.97
   
       -169.27045576 
       -169.28392539 
       -169.27494563 
   
  
  
       5.31    5.32
       5.98    6.01
   
       -169.73663006 
       -169.75057209 
       -169.74127740 
   
  
  
       4.18    4.27
       8.70    8.81
   
        -71.15712033 
        -71.17369942 
        -71.16264669 
   
  
  
       4.19    4.23
       8.76    8.82
   
       -121.45194107 
       -121.46847453 
       -121.45745222 
   
  
  
       3.66    3.70
       7.86    7.91
   
       -136.39945871 
       -136.41833450 
       -136.40575064 
   
  
  
       2.83    2.90
       6.31    6.40
   
       -165.21829838 
       -165.24487352 
       -165.22715676 
   
  
  
       3.02    3.09
       6.40    6.48
   
       -176.85208669 
       -176.88445311 
       -176.86287550 
   
  
  
       2.79    2.86
       6.70    6.83
   
       -183.82011771 
       -183.85056717 
       -183.83026753 
   
  
  
       3.04    3.12
       7.08    7.17
   
       -188.28345113 
       -188.31226189 
       -188.29305472 
   
  
  
       3.50    3.59
       7.20    7.29
   
       -189.36967017 
       -189.40397712 
       -189.38110582 
   
  
  
       2.76    2.81
       6.72    6.77
   
       -190.44549001 
       -190.47863387 
       -190.45653796 
   
  
  
       3.14    3.23
       6.93    7.03
   
       -190.76766671 
       -190.80246066 
       -190.77926470 
   
  
  
       2.74    2.80
       6.84    6.94
   
       -191.36223312 
       -191.39725373 
       -191.37390665 
   
  
  
       3.50    3.56
       8.36    8.44
   
       -191.73984985 
       -191.77498669 
       -191.75156213 
   
  
  
       3.66    3.74
       8.40    8.51
   
       -191.92505434 
       -191.96031993 
       -191.93680954 
   
  
  
       3.66    3.79
       8.48    8.62
   
       -192.06159628 
       -192.09684536 
       -192.07334598 
   
  
  
       3.47    3.55
       7.22    7.32
   
       -192.12089131 
       -192.15614582 
       -192.13264281 
   
  
  
       2.66    2.77
       6.11    6.22
   
       -192.13324540 
       -192.16852394 
       -192.14500491 
   
  
  
       3.09    3.15
       7.19    7.27
   
       -192.13816265 
       -192.17344986 
       -192.14992505 
   
  
  
       3.02    3.07
       7.26    7.34
   
       -192.13933195 
       -192.17462103 
       -192.15109498 
   
  
  
       2.90    2.97
       7.19    7.29
   
       -192.14472440 
       -192.18001655 
       -192.15648845 
   
  
  
       3.85    3.94
       8.87    8.97
   
      -1259.35790847 
      -1259.32652880 
      -1259.34744858 
   
  
  
       3.88    3.98
       8.64    8.76
   
     -28047.73185353 
     -28047.76373663 
     -28047.74248123 
   
  
  
       3.85    3.95
       8.85    8.97
   
    -293612.09207031 
    -293612.09490964 
    -293612.09301675 
   
  
  
       3.67    3.75
       7.77    7.86
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.74    3.77
       6.98    7.02
   
    -251733.33195071 
    -251733.29255937 
    -251733.31882026 
   
  
  
       3.32    3.40
       7.63    7.72
   
    -807582.36030876 
    -807582.34063793 
    -807582.35375182 
   
  
  
       2.56    2.65
       7.24    7.35
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.69    2.73
       7.22    7.27
   
    -715124.27205308 
    -715124.26451554 
    -715124.26954056 
   
  
  
       2.59    2.64
       7.26    7.32
   
    **************** 
    **************** 
    ****************