vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 19 
  09:35:48 
 
 
  No title
       0
  Normal
  Damped
   F  
       1
       2
       1
      95
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000      0.75000000
  Auto
        0.40000000
       1
        0.20000000
       1
   T  
   F  
        0.20000000
   T  
       1
       1
       1
       1
       4
  Normal
 
 
  
   
    
           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 
    
   
   
           0.42863598       0.45003451       0.48307636 
           0.48963542       0.47762843       0.54767186 
           0.38239853       0.33899224       0.45783993 
           0.47223038       0.47541697       0.37761625 
           0.36958799       0.51872052       0.57799179 
           0.37663106       0.25526506       0.51922765 
           0.32637389       0.52602996       0.47154729 
           0.46584867       0.42281458       0.33055921 
           0.45089682       0.54031328       0.36112602 
           0.53223999       0.48977226       0.38584231 
           0.32892155       0.47320678       0.64629668 
           0.46124938       0.44305353       0.61400064 
           0.42274895       0.58522185       0.58163977 
           0.33590432       0.22166479       0.48450928 
           0.42578056       0.22450204       0.51209330 
           0.36431318       0.27212450       0.58819166 
           0.33607725       0.60141630       0.45881084 
           0.33072123       0.49734475       0.39635883 
           0.28731872       0.49094310       0.49033238 
           0.50881276       0.63926602       0.44437661 
           0.54530794       0.64718111       0.54224219 
           0.49747112       0.66907915       0.50881298 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
  
 
 
  
          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
       53
       10
       38
       -1
       -1
        51.00000000
        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
   
   
         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
     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
           0.00000007
           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
  
  
        3
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.77000000      0.32000000      0.75000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    T  
    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  
        28.08500000     16.00000000     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
    T  
   normal
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.25000000
        -1.00000000
         0.00000000
         0.75000000
         0.75000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        4
        1
    F  
         0.20000000
         0.20000000
        1
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
       122.72727273
         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  
  
 
 
        22 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    O    2
    O    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
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       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                   
      14H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 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 
   
  
  
          0.42863598       0.45003451       0.48307636 
          0.48963542       0.47762843       0.54767186 
          0.38239853       0.33899224       0.45783993 
          0.47223038       0.47541697       0.37761625 
          0.36958799       0.51872052       0.57799179 
          0.37663106       0.25526506       0.51922765 
          0.32637389       0.52602996       0.47154729 
          0.46584867       0.42281458       0.33055921 
          0.45089682       0.54031328       0.36112602 
          0.53223999       0.48977226       0.38584231 
          0.32892155       0.47320678       0.64629668 
          0.46124938       0.44305353       0.61400064 
          0.42274895       0.58522185       0.58163977 
          0.33590432       0.22166479       0.48450928 
          0.42578056       0.22450204       0.51209330 
          0.36431318       0.27212450       0.58819166 
          0.33607725       0.60141630       0.45881084 
          0.33072123       0.49734475       0.39635883 
          0.28731872       0.49094310       0.49033238 
          0.50881276       0.63926602       0.44437661 
          0.54530794       0.64718111       0.54224219 
          0.49747112       0.66907915       0.50881298 
  
 
 
  
   
   
          2.18207684 
       2969.37918699 
      -4448.50954483 
        147.58523416 
       1450.12005463 
      -1743.20965345 
         -0.02120880 
        125.31609624 
       1971.76937252 
        474.61161430 
        474.63282310 
        474.61868390 
   
  
  
   
   
        143.76149229 
        143.78038725 
        143.76779061 
   
  
  
   
   
       -200.47235496 
       -200.46498614 
       -200.46989869 
   
  
  
   
   
       -382.33378220 
       -382.27736325 
       -382.31497588 
   
  
  
   
   
       -121.14568170 
       -121.08926274 
       -121.12687538 
   
  
  
   
   
        -86.29055120 
        -86.23413224 
        -86.27174488 
   
  
  
   
   
       -112.02596942 
       -111.96955046 
       -112.00716310 
   
  
  
   
   
       -118.02575306 
       -117.96933426 
       -118.00694680 
   
  
  
   
   
       -121.51932260 
       -121.46290909 
       -121.50051810 
   
  
  
   
   
       -122.72147932 
       -122.66509724 
       -122.70268529 
   
  
  
   
   
       -123.30300771 
       -123.24787808 
       -123.28463116 
   
  
  
   
   
       -123.55336608 
       -123.50408313 
       -123.53693843 
   
  
  
   
   
       -123.65197796 
       -123.60992097 
       -123.63795896 
   
  
  
   
   
       -123.69536357 
       -123.66269702 
       -123.68447472 
   
  
  
   
   
       -123.71163232 
       -123.67761423 
       -123.70029296 
   
  
  
   
   
       -123.69471210 
       -123.66271831 
       -123.68404751 
   
  
  
   
   
       -123.43987182 
       -123.38549804 
       -123.42174723 
   
  
  
   
   
       -123.27093654 
       -123.23600410 
       -123.25929239 
   
  
  
   
   
       -123.15557075 
       -123.10027104 
       -123.13713751 
   
  
  
   
   
       -123.27389486 
       -123.23694004 
       -123.26157659 
   
  
  
   
   
       -123.61394724 
       -123.58249699 
       -123.60346382 
   
  
  
   
   
       -123.60760378 
       -123.57052289 
       -123.59524348 
   
  
  
   
   
       -122.24665463 
       -122.19023570 
       -122.22784832 
   
  
  
   
   
       -122.74929511 
       -122.70296358 
       -122.73385127 
   
  
  
   
   
       -123.43226038 
       -123.38733439 
       -123.41728505 
   
  
  
   
   
       -118.90659837 
       -118.85017941 
       -118.88779205 
   
  
  
   
   
       -122.30617474 
       -122.24975595 
       -122.28736848 
   
  
  
   
   
       -123.05821444 
       -123.00976744 
       -123.04206544 
   
  
  
   
   
       -120.61959944 
       -120.56318048 
       -120.60079312 
   
  
  
   
   
       -122.85286511 
       -122.79676912 
       -122.83416644 
   
  
  
   
   
       -123.26913443 
       -123.23754606 
       -123.25860497 
   
  
  
   
   
       -118.70575176 
       -118.64933280 
       -118.68694544 
   
  
  
   
   
       -122.25001551 
       -122.19359657 
       -122.23120920 
   
  
  
   
   
       -122.97008471 
       -122.91675139 
       -122.95230694 
   
  
  
   
   
       -120.58504842 
       -120.52862946 
       -120.56624210 
   
  
  
   
   
       -122.80165989 
       -122.74603167 
       -122.78311715 
   
  
  
   
   
       -123.23388999 
       -123.20113182 
       -123.22297060 
   
  
  
   
   
       -118.50637250 
       -118.44995354 
       -118.48756618 
   
  
  
   
   
       -122.21843774 
       -122.16201881 
       -122.19963143 
   
  
  
   
   
       -122.93472264 
       -122.88423999 
       -122.91789509 
   
  
  
   
   
       -120.25244840 
       -120.19602944 
       -120.23364208 
   
  
  
   
   
       -122.70309241 
       -122.64696531 
       -122.68438337 
   
  
  
   
   
       -123.18191690 
       -123.15005281 
       -123.17129554 
   
  
  
   
   
       -118.52473657 
       -118.46831761 
       -118.50593025 
   
  
  
   
   
       -122.24375519 
       -122.18733627 
       -122.22494888 
   
  
  
   
   
       -122.94564770 
       -122.89533848 
       -122.92887796 
   
  
  
   
   
       -120.23093647 
       -120.17451751 
       -120.21213015 
   
  
  
   
   
       -122.69312153 
       -122.63695897 
       -122.67440068 
   
  
  
   
   
       -123.17802360 
       -123.14643004 
       -123.16749242 
   
  
  
   
   
       -118.53406828 
       -118.47764932 
       -118.51526196 
   
  
  
   
   
       -122.24687404 
       -122.19045512 
       -122.22806773 
   
  
  
   
   
       -122.95342291 
       -122.90086925 
       -122.93590502 
   
  
  
   
   
       -120.42658038 
       -120.37016143 
       -120.40777407 
   
  
  
   
   
       -122.73717577 
       -122.68126603 
       -122.71853919 
   
  
  
   
   
       -123.20511197 
       -123.17279969 
       -123.19434121 
   
  
  
   
   
       -118.50575819 
       -118.44933923 
       -118.48695187 
   
  
  
   
   
       -122.21133175 
       -122.15491282 
       -122.19252544 
   
  
  
   
   
       -122.95210264 
       -122.89743957 
       -122.93388162 
   
  
  
   
   
       -120.58390528 
       -120.52748632 
       -120.56509896 
   
  
  
   
   
       -122.77590356 
       -122.72035921 
       -122.75738878 
   
  
  
   
   
       -123.22878880 
       -123.19575684 
       -123.21777815 
   
  
  
   
   
       -118.46613189 
       -118.40971294 
       -118.44732557 
   
  
  
   
   
       -122.16638420 
       -122.10996527 
       -122.14757789 
   
  
  
   
   
       -122.94695162 
       -122.89084368 
       -122.92824897 
   
  
  
   
   
       -120.67907878 
       -120.62265982 
       -120.66027246 
   
  
  
   
   
       -122.80051222 
       -122.74531057 
       -122.78211167 
   
  
  
   
   
       -123.24331991 
       -123.20974056 
       -123.23212679 
   
  
  
   
   
       -118.43384916 
       -118.37743020 
       -118.41504284 
   
  
  
   
   
       -122.13359954 
       -122.07718060 
       -122.11479323 
   
  
  
   
   
       -122.94324607 
       -122.88623655 
       -122.92424289 
   
  
  
   
   
       -120.73816692 
       -120.68174796 
       -120.71936060 
   
  
  
   
   
       -122.81541567 
       -122.76050266 
       -122.79711133 
   
  
  
   
   
       -123.25221337 
       -123.21818679 
       -123.24087118 
   
  
  
   
   
       -118.41430548 
       -118.35788652 
       -118.39549916 
   
  
  
   
   
       -122.11296638 
       -122.05654744 
       -122.09416007 
   
  
  
   
   
       -122.94139697 
       -122.88381338 
       -122.92220244 
   
  
  
   
   
       -120.77619257 
       -120.71977361 
       -120.75738625 
   
  
  
   
   
       -122.82489116 
       -122.77019240 
       -122.80665824 
   
  
  
   
   
       -123.25794214 
       -123.22362447 
       -123.24650292 
   
  
  
   
   
       -118.40092224 
       -118.34450328 
       -118.38211592 
   
  
  
   
   
       -122.09857556 
       -122.04215662 
       -122.07976925 
   
  
  
   
   
       -122.94004612 
       -122.88208318 
       -122.92072514 
   
  
  
   
   
       -120.80155964 
       -120.74514068 
       -120.78275332 
   
  
  
   
   
       -122.83103620 
       -122.77649965 
       -122.81285735 
   
  
  
   
   
       -123.26175054 
       -123.22721530 
       -123.25023879 
   
  
  
   
   
       -118.39189772 
       -118.33547876 
       -118.37309140 
   
  
  
   
   
       -122.08885927 
       -122.03244033 
       -122.07005296 
   
  
  
   
   
       -122.93916643 
       -122.88094666 
       -122.91975984