vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2026 02 02 
  00:02:16 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.73000000      1.11000000      0.77000000      0.32000000      0.75000000
        0.05400000      0.06000000      0.00600000      0.13100000      0.18600000      0.01100000      0.00200000      0.04900000      0.00400000      0.00000000      0.00100000      0.00100000     -0.00100000      0.00300000      0.00100000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000     -0.00300000      0.74600000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           11.00000000       0.00000000       0.00000000 
            0.00000000      10.00000000       0.00000000 
            0.00000000       0.00000000      10.00000000 
    
       1100.00000000 
    
            0.09090909       0.00000000       0.00000000 
            0.00000000       0.10000000       0.00000000 
            0.00000000       0.00000000       0.10000000 
    
   
   
           0.62065385       0.87867686       0.48157634 
           0.48604543       0.54824207       0.44177178 
           0.03374446       0.27461602       0.66082402 
           0.98208470       0.41192549       0.23883561 
           0.65057839       0.90586936       0.01515200 
           0.99810238       0.40709028       0.15396680 
           0.23738058       0.82340109       0.67559924 
           0.80260367       0.29734111       0.30471381 
           0.31654875       0.84249754       0.29860431 
           0.59911238       0.84590071       0.12582026 
           0.02255232       0.45701167       0.12189317 
           0.47417880       0.13893881       0.09193704 
           0.62894142       0.89330363       0.57135122 
           0.01196134       0.24547683       0.52920827 
           0.72017206       0.04210854       0.75593381 
           0.12818045       0.94398351       0.65241172 
           0.63484962       0.50332135       0.02954364 
           0.25976548       0.20570983       0.53293086 
           0.89187548       0.55112037       0.12714587 
           0.46743868       0.05075675       0.22250669 
           0.00723489       0.48183660       0.80293162 
           0.80626084       0.48697655       0.51985311 
           0.71963321       0.77059396       0.26310630 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.50000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       40
       -1
       -1
        50.00000000
        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  
          0.05400000      0.06000000      0.00600000      0.13100000      0.18600000      0.01100000      0.00200000      0.04900000      0.00400000      0.00000000      0.00100000      0.00100000     -0.00100000      0.00300000      0.00100000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000     -0.00300000      0.74600000
         -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
           0.00000006
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       54
       50
       50
      108
      100
      100
    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
         0.73000000      1.11000000      0.77000000      0.32000000      0.75000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        16.00000000     28.08500000     12.01100000      1.00000000     14.00100000
         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
        28.69565217
         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  
  
 
 
        23 
         5 
  
   ion
   element
   atomtype
   
    O    1
    Si   2
    Si   2
    C    3
    C    3
    C    3
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
          11.00000000       0.00000000       0.00000000 
           0.00000000      10.00000000       0.00000000 
           0.00000000       0.00000000      10.00000000 
   
      1100.00000000 
   
           0.09090909       0.00000000       0.00000000 
           0.00000000       0.10000000       0.00000000 
           0.00000000       0.00000000       0.10000000 
   
  
  
          0.62065385       0.87867686       0.48157634 
          0.48604543       0.54824207       0.44177178 
          0.03374446       0.27461602       0.66082402 
          0.98208470       0.41192549       0.23883561 
          0.65057839       0.90586936       0.01515200 
          0.99810238       0.40709028       0.15396680 
          0.23738058       0.82340109       0.67559924 
          0.80260367       0.29734111       0.30471381 
          0.31654875       0.84249754       0.29860431 
          0.59911238       0.84590071       0.12582026 
          0.02255232       0.45701167       0.12189317 
          0.47417880       0.13893881       0.09193704 
          0.62894142       0.89330363       0.57135122 
          0.01196134       0.24547683       0.52920827 
          0.72017206       0.04210854       0.75593381 
          0.12818045       0.94398351       0.65241172 
          0.63484962       0.50332135       0.02954364 
          0.25976548       0.20570983       0.53293086 
          0.89187548       0.55112037       0.12714587 
          0.46743868       0.05075675       0.22250669 
          0.00723489       0.48183660       0.80293162 
          0.80626084       0.48697655       0.51985311 
          0.71963321       0.77059396       0.26310630 
  
 
 
  
      10.22   10.27
      10.46   10.51
   
          8.19223027 
       -189.42440687 
      -1089.61655266 
        101.88945855 
       1193.74450417 
      -1163.95454741 
         -0.00160323 
       -272.42325535 
       1678.55807637 
        266.96390384 
        266.96550706 
        266.96443824 
   
  
  
      14.51   14.52
      14.51   14.52
   
          4.64485612 
          4.65085892 
          4.64685705 
   
  
  
      11.00   11.02
      11.01   11.02
   
        -53.03411800 
        -53.02182952 
        -53.03002184 
   
  
  
      11.28   11.29
      11.28   11.29
   
        -56.30178333 
        -56.26524162 
        -56.28960276 
   
  
  
      11.93   11.93
      11.99   11.99
   
        -56.44112621 
        -56.39981658 
        -56.42735633 
   
  
  
      13.09   13.09
      13.40   13.40
   
        -57.09875505 
        -57.16818542 
        -57.12189850 
   
  
  
       9.93    9.94
      10.24   10.24
   
        -35.75492676 
        -35.73645722 
        -35.74877025 
   
  
  
      10.40   10.41
      10.70   10.71
   
        -35.86166957 
        -35.88627761 
        -35.86987225 
   
  
  
      10.26   10.27
      10.56   10.57
   
        -30.08923992 
        -30.09688239 
        -30.09178741 
   
  
  
      10.11   10.12
      10.41   10.42
   
        -30.45450679 
        -30.40935287 
        -30.43945548 
   
  
  
      11.11   11.12
      11.40   11.41
   
        -30.19987026 
        -30.19107580 
        -30.19693877 
   
  
  
      10.07   10.08
      10.37   10.38
   
        -30.46365948 
        -30.44662585 
        -30.45798160 
   
  
  
       9.59    9.60
       9.89    9.90
   
        -30.29611475 
        -30.27508121 
        -30.28910357 
   
  
  
       9.67    9.68
       9.96    9.97
   
        -30.36857442 
        -30.35849343 
        -30.36521409 
   
  
  
       9.88    9.89
      10.18   10.20
   
        -30.42643288 
        -30.38179159 
        -30.41155245 
   
  
  
       9.34    9.36
       9.65    9.67
   
        -30.42148526 
        -30.37428679 
        -30.40575244 
   
  
  
      10.84   10.85
      11.17   11.18
   
        -30.41098549 
        -30.39777021 
        -30.40658040 
   
  
  
      11.27   11.27
      11.57   11.58
   
        -30.63850040 
        -30.61412177 
        -30.63037419 
   
  
  
      11.00   11.01
      11.31   11.31
   
        -30.84239949 
        -30.80335204 
        -30.82938367 
   
  
  
      11.08   11.09
      11.38   11.39
   
        -30.87912374 
        -30.84318232 
        -30.86714327 
   
  
  
      10.35   10.36
      10.66   10.67
   
        -30.93213011 
        -30.89378655 
        -30.91934892 
   
  
  
       9.50    9.51
       9.80    9.82
   
        -30.90819537 
        -30.87147818 
        -30.89595631 
   
  
  
      10.05   10.07
      10.36   10.38
   
        -30.99616899 
        -30.96021092 
        -30.98418296 
   
  
  
       9.38    9.39
       9.69    9.69
   
        -30.98457895 
        -30.94823722 
        -30.97246504 
   
  
  
       9.40    9.42
       9.71    9.72
   
        -30.97331808 
        -30.93925111 
        -30.96196242 
   
  
  
      11.18   11.19
      11.48   11.49
   
        -31.04433208 
        -31.01530753 
        -31.03465723 
   
  
  
      11.04   11.05
      11.34   11.36
   
        -31.25999424 
        -31.22862365 
        -31.24953738 
   
  
  
      10.52   10.54
      10.83   10.85
   
        -31.27620549 
        -31.21363742 
        -31.25534947 
   
  
  
      10.22   10.23
      10.53   10.54
   
        -31.50866880 
        -31.45745857 
        -31.49159872 
   
  
  
      10.09   10.09
      10.41   10.41
   
        -31.62312750 
        -31.59216605 
        -31.61280702 
   
  
  
       9.81    9.82
      10.13   10.14
   
        -31.70448731 
        -31.67245650 
        -31.69381038 
   
  
  
       9.96    9.98
      10.29   10.30
   
        -31.71195008 
        -31.69654091 
        -31.70681369 
   
  
  
       9.98    9.98
      10.29   10.30
   
        -23.42955167 
        -23.42079162 
        -23.42663166 
   
  
  
      10.79   10.80
      11.10   11.11
   
        -13.32424735 
        -13.33969435 
        -13.32939635 
   
  
  
      10.88   10.89
      11.20   11.21
   
        -13.76407716 
        -13.78200407 
        -13.77005280 
   
  
  
      12.37   12.38
      12.72   12.74
   
        -13.54506939 
        -13.56173585 
        -13.55062488 
   
  
  
      10.57   10.58
      10.89   10.90
   
        -13.67636919 
        -13.69384528 
        -13.68219456 
   
  
  
      10.96   10.97
      11.28   11.29
   
        -13.63705853 
        -13.65445526 
        -13.64285744 
   
  
  
      10.67   10.67
      10.99   11.00
   
        -13.59932795 
        -13.61660994 
        -13.60508861 
   
  
  
      10.99   11.00
      11.34   11.35
   
        -13.73693903 
        -13.75091746 
        -13.74159851 
   
  
  
      10.22   10.23
      10.59   10.60
   
        -12.31269260 
        -12.30010248 
        -12.30849590 
   
  
  
      11.30   11.31
      11.63   11.64
   
        -12.54192040 
        -12.52872073 
        -12.53752051 
   
  
  
      10.99   11.01
      11.33   11.35
   
        -12.64032248 
        -12.62717016 
        -12.63593837 
   
  
  
      10.36   10.38
      10.69   10.70
   
        -13.01980609 
        -13.01016594 
        -13.01659271 
   
  
  
      10.41   10.42
      10.73   10.74
   
        -13.09922861 
        -13.06471408 
        -13.08772377 
   
  
  
      10.76   10.77
      11.10   11.11
   
        -12.76000348 
        -12.73885175 
        -12.75295291 
   
  
  
      10.18   10.19
      10.52   10.53
   
        -11.59806580 
        -11.57473392 
        -11.59028851 
   
  
  
      10.10   10.12
      10.44   10.45
   
        -10.40427235 
        -10.40239055 
        -10.40364508 
   
  
  
      10.36   10.37
      10.71   10.72
   
         -9.99075961 
         -9.97618939 
         -9.98590287 
   
  
  
      10.89   10.90
      11.22   11.23
   
        -11.19628497 
        -11.18544105 
        -11.19267033 
   
  
  
      10.75   10.76
      11.08   11.09
   
       -134.66384761 
       -134.66646014 
       -134.66471845 
   
  
  
       9.73    9.74
      10.07   10.08
   
          8.86985304 
          8.83628749 
          8.85866452 
   
  
  
      12.00   12.02
      12.33   12.34
   
       -132.29687274 
       -132.30914193 
       -132.30096247 
   
  
  
      11.06   11.07
      11.39   11.40
   
         -3.69861492 
         -3.68319944 
         -3.69347642 
   
  
  
      11.47   11.48
      11.82   11.82
   
        -76.25656633 
        -76.27504978 
        -76.26272748 
   
  
  
      10.76   10.78
      11.10   11.12
   
        -14.98386943 
        -14.99653516 
        -14.98809134 
   
  
  
      10.91   10.93
      11.24   11.26
   
         -9.70553266 
         -9.69928154 
         -9.70344895 
   
  
  
       9.32    9.33
       9.65    9.66
   
         17.07918467 
         17.05949960 
         17.07262298 
   
  
  
      12.03   12.04
      12.36   12.37
   
       -708.11816763 
       -708.16382994 
       -708.13338840 
   
  
  
      10.94   10.95
      11.28   11.29
   
         40.46280939 
         40.48303506 
         40.46955128 
   
  
  
      11.25   11.26
      11.58   11.58
   
      -1395.94198785 
      -1395.94105707 
      -1395.94167759 
   
  
  
      10.40   10.41
      10.73   10.74
   
        289.92194803 
        289.91621521 
        289.92003709