vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2026 02 02 
  18:16:44 
 
 
  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 
    
   
   
           0.34626510       0.83512096       0.27533856 
           0.28722885       0.97376592       0.75608058 
           0.66062438       0.69377835       0.65139791 
           0.31838741       0.01002570       0.58883107 
           0.41623541       0.00665982       0.52960594 
           0.24943466       0.83813804       0.29007207 
           0.44879189       0.35798379       0.10963891 
           0.73801836       0.16133200       0.71422623 
           0.72824393       0.18185511       0.77556999 
           0.49075418       0.53310816       0.21161409 
           0.17590807       0.79628760       0.06182279 
           0.98920190       0.62613146       0.84947127 
           0.71240985       0.51784700       0.21058639 
           0.76557390       0.51641548       0.23426690 
           0.55138035       0.06970384       0.78217952 
           0.15294202       0.74292700       0.38227224 
           0.54581287       0.55693034       0.15657598 
           0.62823869       0.44219441       0.67714164 
           0.72457637       0.49225871       0.60398513 
           0.46528864       0.58713924       0.68643031 
           0.01637679       0.57813034       0.15647704 
           0.63254301       0.43661833       0.76379473 
           0.45694394       0.05939645       0.15522628 
   
  
  
           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 
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          0.00000000       0.50000000       0.00000000 
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          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
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         -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 
   
  
  
          0.34626510       0.83512096       0.27533856 
          0.28722885       0.97376592       0.75608058 
          0.66062438       0.69377835       0.65139791 
          0.31838741       0.01002570       0.58883107 
          0.41623541       0.00665982       0.52960594 
          0.24943466       0.83813804       0.29007207 
          0.44879189       0.35798379       0.10963891 
          0.73801836       0.16133200       0.71422623 
          0.72824393       0.18185511       0.77556999 
          0.49075418       0.53310816       0.21161409 
          0.17590807       0.79628760       0.06182279 
          0.98920190       0.62613146       0.84947127 
          0.71240985       0.51784700       0.21058639 
          0.76557390       0.51641548       0.23426690 
          0.55138035       0.06970384       0.78217952 
          0.15294202       0.74292700       0.38227224 
          0.54581287       0.55693034       0.15657598 
          0.62823869       0.44219441       0.67714164 
          0.72457637       0.49225871       0.60398513 
          0.46528864       0.58713924       0.68643031 
          0.01637679       0.57813034       0.15647704 
          0.63254301       0.43661833       0.76379473 
          0.45694394       0.05939645       0.15522628 
  
 
 
  
      10.20   10.26
      10.46   10.52
   
          8.19223027 
         39.89363477 
      -1354.52961582 
        103.08658003 
       1193.74450417 
      -1163.95454741 
         -0.00636045 
       -262.81314904 
       1678.55807637 
        242.17135289 
        242.17771334 
        242.17347304 
   
  
  
      12.94   12.96
      12.94   12.96
   
        -16.38802917 
        -16.38552086 
        -16.38719306 
   
  
  
      11.73   11.74
      11.73   11.74
   
        -77.25353596 
        -77.21779784 
        -77.24162325 
   
  
  
      11.55   11.57
      11.55   11.57
   
        -80.29496465 
        -80.24880412 
        -80.27957781 
   
  
  
      13.90   13.91
      13.96   13.97
   
        -80.41300907 
        -80.36485108 
        -80.39695641 
   
  
  
      10.60   10.61
      10.95   10.95
   
        -98.12437631 
        -98.14093649 
        -98.12989637 
   
  
  
      10.84   10.85
      11.14   11.15
   
        -71.49825077 
        -71.46460409 
        -71.48703521 
   
  
  
      10.80   10.82
      11.11   11.12
   
        -71.50246858 
        -71.59763166 
        -71.53418961 
   
  
  
      11.07   11.08
      11.38   11.40
   
        -70.15497205 
        -70.10768629 
        -70.13921013 
   
  
  
      11.16   11.18
      11.47   11.49
   
        -69.66891571 
        -69.61026007 
        -69.64936383 
   
  
  
      11.73   11.75
      12.05   12.06
   
        -69.61691875 
        -69.55196097 
        -69.59526616 
   
  
  
      11.35   11.36
      11.65   11.66
   
        -69.77262704 
        -69.68435122 
        -69.74320177 
   
  
  
      10.46   10.47
      10.76   10.77
   
        -70.19219385 
        -70.14422668 
        -70.17620479 
   
  
  
      10.84   10.86
      11.14   11.16
   
        -70.10355929 
        -70.04718358 
        -70.08476739 
   
  
  
      10.60   10.61
      10.91   10.92
   
        -70.22147096 
        -70.14304711 
        -70.19532967 
   
  
  
      11.74   11.74
      12.06   12.07
   
        -70.51271678 
        -70.49283249 
        -70.50608869 
   
  
  
      10.21   10.22
      10.52   10.53
   
        -70.90028670 
        -70.88051853 
        -70.89369731 
   
  
  
      10.70   10.71
      11.04   11.05
   
        -70.84240233 
        -70.82425073 
        -70.83635179 
   
  
  
      10.42   10.44
      10.74   10.75
   
        -70.68716058 
        -70.64548689 
        -70.67326935 
   
  
  
      11.10   11.11
      11.41   11.42
   
        -71.35463888 
        -71.29480169 
        -71.33469315 
   
  
  
       9.38    9.39
       9.68    9.70
   
        -71.49335624 
        -71.42368326 
        -71.47013192 
   
  
  
       9.82    9.82
      10.12   10.13
   
        -71.88326817 
        -71.78997490 
        -71.85217042 
   
  
  
       9.43    9.44
       9.73    9.74
   
        -71.28422995 
        -71.17914872 
        -71.24920287 
   
  
  
      10.16   10.18
      10.48   10.50
   
        -70.48965550 
        -70.39566067 
        -70.45832389 
   
  
  
      13.34   13.35
      13.65   13.66
   
      -1260.11919463 
      -1260.10272289 
      -1260.11370405 
   
  
  
      11.70   11.72
      12.03   12.05
   
        -59.88654309 
        -59.86548323 
        -59.87952314 
   
  
  
      10.68   10.71
      10.99   11.02
   
        -68.91259004 
        -68.85353055 
        -68.89290355 
   
  
  
      10.99   11.00
      11.30   11.31
   
        -71.79970983 
        -71.70453286 
        -71.76798417 
   
  
  
      10.53   10.53
      10.84   10.85
   
        -72.38114194 
        -72.34692126 
        -72.36973504 
   
  
  
      11.58   11.59
      11.91   11.93
   
        -72.28173358 
        -72.19658616 
        -72.25335111 
   
  
  
      11.02   11.04
      11.34   11.35
   
        -71.91267937 
        -71.83737580 
        -71.88757818 
   
  
  
      11.93   11.95
      12.25   12.27
   
        -71.93231807 
        -71.85590768 
        -71.90684794 
   
  
  
      11.37   11.38
      11.69   11.70
   
        -72.19494901 
        -72.13161949 
        -72.17383917 
   
  
  
      11.38   11.38
      11.69   11.70
   
        -72.16044542 
        -72.09015567 
        -72.13701550 
   
  
  
      10.77   10.78
      11.10   11.11
   
        -72.31595230 
        -72.23004927 
        -72.28731796 
   
  
  
      10.83   10.83
      11.14   11.15
   
        -72.41199816 
        -72.31492491 
        -72.37964041 
   
  
  
      10.03   10.03
      10.35   10.35
   
        -72.40439058 
        -72.30412655 
        -72.37096924 
   
  
  
      11.53   11.54
      11.87   11.88
   
        -72.38289079 
        -72.28560297 
        -72.35046152 
   
  
  
      10.88   10.89
      11.21   11.22
   
        -72.49102599 
        -72.40205524 
        -72.46136907 
   
  
  
       9.97   10.00
      10.30   10.33
   
        -72.54835798 
        -72.45495221 
        -72.51722272 
   
  
  
      11.56   11.57
      11.89   11.89
   
        -72.55386403 
        -72.46044342 
        -72.52272383 
   
  
  
      10.58   10.59
      10.90   10.91
   
        -72.59143254 
        -72.49719991 
        -72.56002167 
   
  
  
      10.04   10.05
      10.36   10.37
   
        -75.68546051 
        -75.59110003 
        -75.65400702 
   
  
  
       9.79    9.80
      10.12   10.13
   
        -72.40316168 
        -72.31099990 
        -72.37244109 
   
  
  
      10.59   10.59
      10.95   10.95
   
        -72.61460996 
        -72.51944839 
        -72.58288944 
   
  
  
      10.39   10.41
      10.73   10.74
   
        -72.62024784 
        -72.52582746 
        -72.58877438 
   
  
  
      10.36   10.37
      10.70   10.71
   
        -72.68822555 
        -72.59225622 
        -72.65623577 
   
  
  
      10.39   10.41
      10.73   10.75
   
        -72.67541552 
        -72.57684237 
        -72.64255780 
   
  
  
       9.35    9.36
       9.69    9.70
   
        -72.31538572 
        -72.21657614 
        -72.28244920 
   
  
  
      11.15   11.16
      11.49   11.50
   
        -72.32479257 
        -72.22591675 
        -72.29183397 
   
  
  
       9.95    9.96
      10.27   10.29
   
        -72.53148443 
        -72.43234124 
        -72.49843670 
   
  
  
      11.15   11.16
      11.47   11.48
   
        -72.88685943 
        -72.78458094 
        -72.85276660 
   
  
  
      10.67   10.68
      11.01   11.02
   
        -72.61440502 
        -72.51343857 
        -72.58074953 
   
  
  
      13.70   13.70
      14.03   14.04
   
        -99.42077531 
        -99.32363852 
        -99.38839638 
   
  
  
       9.59    9.61
       9.92    9.94
   
        -66.55313424 
        -66.57569818 
        -66.56065555 
   
  
  
      10.47   10.48
      10.82   10.82
   
        -71.07094268 
        -71.01271037 
        -71.05153191 
   
  
  
      11.08   11.09
      11.41   11.42
   
        -72.33477246 
        -72.23822975 
        -72.30259156 
   
  
  
      11.48   11.50
      11.80   11.82
   
        -72.63564676 
        -72.53867866 
        -72.60332406 
   
  
  
      10.15   10.17
      10.52   10.54
   
        -72.70847782 
        -72.61095133 
        -72.67596899 
   
  
  
       9.85    9.87
      10.18   10.20
   
        -72.85068007 
        -72.75425923 
        -72.81853979 
   
  
  
       9.63    9.64
      10.02   10.03
   
        -72.74561765 
        -72.64873574 
        -72.71332368 
   
  
  
      10.39   10.40
      10.72   10.73
   
        -72.77327237 
        -72.67638149 
        -72.74097541 
   
  
  
      10.03   10.03
      10.36   10.37
   
        -72.82581586 
        -72.72855624 
        -72.79339598 
   
  
  
      11.07   11.08
      11.40   11.41
   
        -72.75857882 
        -72.66164435 
        -72.72626733 
   
  
  
      10.87   10.87
      11.22   11.23
   
        -72.73293503 
        -72.63627082 
        -72.70071363 
   
  
  
      11.01   11.01
      11.34   11.35
   
        -72.70980618 
        -72.61372702 
        -72.67777980 
   
  
  
       9.80    9.81
      10.14   10.15
   
        -72.43417815 
        -72.33814785 
        -72.40216805 
   
  
  
      10.01   10.02
      10.34   10.35
   
        -72.46948583 
        -72.37350365 
        -72.43749177 
   
  
  
       9.93    9.94
      10.28   10.29
   
        -72.58790180 
        -72.49168744 
        -72.55583035