vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 03 12 
  21:50:10 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.45000000      0.75000000      0.32000000      1.11000000      0.73000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            8.99652000       0.00000000       0.00000000 
            0.00000000       8.99652000       0.00000000 
            0.00000000       0.00000000      27.72300000 
    
       2243.82676702 
    
            0.11115409       0.00000000       0.00000000 
            0.00000000       0.11115409       0.00000000 
            0.00000000       0.00000000       0.03607113 
    
   
   
           0.08349083       0.07360161       0.28508902 
           0.25188579       0.24257985       0.51602158 
           0.08306758       0.07371352       0.43887226 
           0.25015750       0.24026828       0.36157786 
           0.08556444       0.07428566       0.60007874 
           0.25015750       0.24026828       0.20860019 
           0.08349083       0.40693495       0.28508902 
           0.25106242       0.57124108       0.51636555 
           0.08402361       0.40681314       0.43928118 
           0.25015750       0.57360161       0.36157786 
           0.08581405       0.40762881       0.59751412 
           0.25015750       0.57360161       0.20860019 
           0.08349083       0.74026828       0.28508902 
           0.24852911       0.90557047       0.51516391 
           0.08343998       0.74029737       0.43883055 
           0.25015750       0.90693495       0.36157786 
           0.08171214       0.74278483       0.59950682 
           0.25015750       0.90693495       0.20860019 
           0.41682417       0.07360161       0.28508902 
           0.58145489       0.24084295       0.51505515 
           0.41628695       0.07406574       0.43948384 
           0.58349083       0.24026828       0.36157786 
           0.41819015       0.07072114       0.59347044 
           0.58349083       0.24026828       0.20860019 
           0.41682417       0.40693495       0.28508902 
           0.57996280       0.57125962       0.51581143 
           0.41597137       0.40726089       0.43785238 
           0.58349083       0.57360161       0.36157786 
           0.43121136       0.37269007       0.62204281 
           0.58349083       0.57360161       0.20860019 
           0.41682417       0.74026828       0.28508902 
           0.58536189       0.90515740       0.51509372 
           0.41692960       0.73896988       0.43904116 
           0.58349083       0.90693495       0.36157786 
           0.41568321       0.73396302       0.59812289 
           0.58349083       0.90693495       0.20860019 
           0.75015750       0.07360161       0.28508902 
           0.91777052       0.23895747       0.51547702 
           0.75143020       0.07256241       0.43880448 
           0.91682417       0.24026828       0.36157786 
           0.75259525       0.07205432       0.59804364 
           0.91682417       0.24026828       0.20860019 
           0.75015750       0.40693495       0.28508902 
           0.91633890       0.57621861       0.51539763 
           0.74907213       0.40679856       0.43952056 
           0.91682417       0.57360161       0.36157786 
           0.74432733       0.40826376       0.59412199 
           0.91682417       0.57360161       0.20860019 
           0.75015750       0.74026828       0.28508902 
           0.91770463       0.90677271       0.51501618 
           0.74993203       0.74029370       0.43869405 
           0.91682417       0.90693495       0.36157786 
           0.75136565       0.73967129       0.59944167 
           0.91682417       0.90693495       0.20860019 
           0.08349083       0.07360161       0.20860019 
           0.25204113       0.24257902       0.59163206 
           0.08349083       0.07360161       0.36157786 
           0.24985178       0.24023571       0.43805340 
           0.08429983       0.07376952       0.51619560 
           0.25015750       0.24026828       0.28508902 
           0.08349083       0.40693495       0.20860019 
           0.24568662       0.57634902       0.59121874 
           0.08349083       0.40693495       0.36157786 
           0.24974020       0.57353445       0.43811789 
           0.08299459       0.40705848       0.51632710 
           0.25015750       0.57360161       0.28508902 
           0.08349083       0.74026828       0.20860019 
           0.25047501       0.90720491       0.59078047 
           0.08349083       0.74026828       0.36157786 
           0.24999591       0.90663777       0.43793079 
           0.08334685       0.73987808       0.51588755 
           0.25015750       0.90693495       0.28508902 
           0.41682417       0.07360161       0.20860019 
           0.58482385       0.23537646       0.58852731 
           0.41682417       0.07360161       0.36157786 
           0.58337168       0.23993899       0.43771064 
           0.41669702       0.07201744       0.51561449 
           0.58349083       0.24026828       0.28508902 
           0.41682417       0.40693495       0.20860019 
           0.58244873       0.57331036       0.59048955 
           0.41682417       0.40693495       0.36157786 
           0.58324633       0.57344937       0.43791048 
           0.41632565       0.40650720       0.51402778 
           0.58349083       0.57360161       0.28508902 
           0.41682417       0.74026828       0.20860019 
           0.58499211       0.90570963       0.59072907 
           0.41682417       0.74026828       0.36157786 
           0.58349966       0.90660888       0.43782452 
           0.41624166       0.73981035       0.51616644 
           0.58349083       0.90693495       0.28508902 
           0.75015750       0.07360161       0.20860019 
           0.91678689       0.23910753       0.59133681 
           0.75015750       0.07360161       0.36157786 
           0.91682879       0.24011272       0.43795980 
           0.75047681       0.07309748       0.51564606 
           0.91682417       0.24026828       0.28508902 
           0.75015750       0.40693495       0.20860019 
           0.91344354       0.57500962       0.58994672 
           0.75015750       0.40693495       0.36157786 
           0.91679069       0.57350085       0.43789497 
           0.75006189       0.40672230       0.51600155 
           0.91682417       0.57360161       0.28508902 
           0.75015750       0.74026828       0.20860019 
           0.91826809       0.90614256       0.59045226 
           0.75015750       0.74026828       0.36157786 
           0.91697544       0.90660609       0.43786216 
           0.74997963       0.73970233       0.51569750 
           0.91682417       0.90693495       0.28508902 
           0.09202833       0.08207813       0.66971609 
           0.06151620       0.41222136       0.66805867 
           0.08464176       0.74572081       0.66927885 
           0.43000957       0.11539564       0.66418756 
           0.38066099       0.42047058       0.68666942 
           0.41904989       0.74716142       0.66799285 
           0.75534400       0.06708370       0.66862113 
           0.68965173       0.38890236       0.66460383 
           0.75185980       0.72660805       0.66842530 
           0.09951174       0.18029161       0.68814467 
           0.10310571       0.98854223       0.69032356 
           0.96415991       0.38386605       0.68123485 
           0.08590848       0.50253824       0.68178268 
           0.18581605       0.73991783       0.68603953 
           0.00151893       0.76192420       0.68947773 
           0.33581030       0.10565915       0.68389395 
           0.52195608       0.12189457       0.68177997 
           0.28931864       0.38555576       0.69037685 
           0.34127313       0.54409536       0.78918590 
           0.41287968       0.84607531       0.68512476 
           0.44515433       0.67529032       0.68588322 
           0.71432738       0.98094196       0.68416911 
           0.85975088       0.08328026       0.68203263 
           0.71856640       0.28940437       0.67980060 
           0.65576656       0.45750729       0.68364982 
           0.68937124       0.76040072       0.68611266 
           0.80037912       0.65308098       0.68853880 
           0.29322723       0.13714017       0.81978930 
           0.20032794       0.51709887       0.78108201 
           0.88725913       0.55311147       0.81087740 
           0.20506237       0.50638602       0.92755347 
           0.12754087       0.59303495       0.91404684 
           0.22579012       0.62054004       0.93190872 
           0.62173219       0.46507975       0.83214307 
           0.56172718       0.53939895       0.78285930 
           0.63073303       0.38619663       0.80315327 
           0.54103488       0.32444597       0.87232042 
           0.54590830       0.23490815       0.84007713 
           0.40003033       0.29054683       0.84997786 
           0.44179336       0.43621626       0.80765999 
           0.37769890       0.55468400       0.82431559 
           0.33851272       0.54439598       0.88689160 
           0.26811961       0.52616706       0.80758548 
           0.22241383       0.57063879       0.90950640 
           0.58121793       0.46286503       0.80530198 
           0.48774562       0.31150971       0.84560787 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
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          11 
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         144 
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         146 
         147 
         148 
         149 
         150 
         151 
         152 
         153 
         154 
  
 
 
  
          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
       400.00000000
       644.87300000
         0.00001000
       38
       10
      615
       -1
       -1
      1025.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000     -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      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
        400.00000000
    
      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
   
  
  
       48
       48
      140
       96
       96
      280
    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
         1.45000000      0.75000000      0.32000000      1.11000000      0.73000000      0.77000000
      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        47.88000000     14.00100000      1.00000000     28.08500000     16.00000000     12.01100000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
         8.74218221
         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
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       154 
         6 
  
   ion
   element
   atomtype
   
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    Si   4
    O    5
    O    5
    C    6
    C    6
    C    6
    C    6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      54Ti     47.88000000     12.00000000  PAW_PBE Ti_sv 26Sep2005               
      63N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      30H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
           8.99652000       0.00000000       0.00000000 
           0.00000000       8.99652000       0.00000000 
           0.00000000       0.00000000      27.72300000 
   
      2243.82676702 
   
           0.11115409       0.00000000       0.00000000 
           0.00000000       0.11115409       0.00000000 
           0.00000000       0.00000000       0.03607113 
   
  
  
          0.08349083       0.07360161       0.28508902 
          0.25188579       0.24257985       0.51602158 
          0.08306758       0.07371352       0.43887226 
          0.25015750       0.24026828       0.36157786 
          0.08556444       0.07428566       0.60007874 
          0.25015750       0.24026828       0.20860019 
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          0.48774562       0.31150971       0.84560787 
  
  
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      60.33   60.32
      60.93   60.92
   
       2759.81566181 
     467852.26290723 
    -563682.77442141 
       4806.46643445 
      82476.61415358 
     -81482.61018823 
          0.01427100 
      -2050.22813304 
     104348.45207405 
      15028.01275945 
      15027.99848845 
      15028.00800245 
   
  
  
      59.61   59.63
      59.61   59.63
   
       1686.80953081 
       1686.82319642 
       1686.81408601