vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2026 03 04 
  07:19:45 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.75000000      1.11000000      0.32000000      1.33000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
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       6018.44942249 
    
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           0.41151594       0.79682985       0.31184258 
           0.29809771       0.88538420       0.26178949 
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          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       10
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       -1
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     T  
     T  
   
   
     T  
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      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
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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
           0.00000000
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
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          4
      F  
        -45
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          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       80
       80
      150
      160
      160
      300
    F  
  
  
        0
       -1
        0
        2
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        0
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         0.00010000
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        1
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        2
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        0
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      301
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       -10.00000000
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        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  
        14.00100000     28.08500000      1.00000000    126.90400000
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    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
        15.56495540
         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  
  
 
 
       232 
         4 
  
   ion
   element
   atomtype
   
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    N    1
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   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
    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
    I    4
    I    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     100N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      74Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      56H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       2I     126.90400000      7.00000000  PAW_PBE I 08Apr2002                   
   
  
 
 
  
   
          15.22006000       0.00000000       0.00000000 
          -7.61003000      13.18095860       0.00000000 
           0.00000000       0.00000000      30.00000000 
   
      6018.44942249 
   
           0.06570276       0.03793351       0.00000000 
           0.00000000       0.07586702       0.00000000 
           0.00000000       0.00000000       0.03333333 
   
  
  
          0.66013506       0.86477683       0.48544475 
          0.40352568       0.00110447       0.53934470 
          0.25914358       0.30316113       0.47099657 
          0.14897937       0.48794499       0.21515543 
          0.01160323       0.15923322       0.21516239 
          0.34026301       0.35047706       0.21518482 
          0.35241062       0.01704415       0.36058956 
          0.48064840       0.33373954       0.36136890 
          0.16747387       0.14882776       0.36084242 
          0.14816058       0.48151637       0.31108540 
          0.01815821       0.16493324       0.31108802 
          0.33473684       0.35150837       0.31111601 
          0.34958543       0.01612704       0.26341984 
          0.48347822       0.33168066       0.26341706 
          0.16794168       0.15003331       0.26339103 
          0.71437597       0.47367933       0.44572644 
          0.45295895       0.42086439       0.49703940 
          0.10206745       0.06720481       0.52990379 
          0.16699418       0.33260678       0.25738082 
          0.51407239       0.06818425       0.45959405 
          0.16637662       0.33389311       0.36106670 
          0.33369770       0.16599309       0.31183001 
          0.89992905       0.92200412       0.51990878 
          0.33364947       0.16588873       0.20786951 
          0.41160704       0.88838578       0.49473857 
          0.08643909       0.60397435       0.35311470 
          0.65913706       0.99180451       0.30884264 
          0.14897937       0.98794499       0.21515543 
          0.01160323       0.65923322       0.21516239 
          0.34026301       0.85047706       0.21518482 
          0.35249064       0.51707423       0.36070958 
          0.48120504       0.83344001       0.36118184 
          0.16712303       0.64862065       0.36070841 
          0.14816058       0.98151637       0.31108540 
          0.01815821       0.66493324       0.31108802 
          0.33473684       0.85150837       0.31111601 
          0.34958543       0.51612703       0.26341984 
          0.48347822       0.83168066       0.26341706 
          0.16794168       0.65003331       0.26339103 
          0.25249251       0.94600494       0.46291933 
          0.84518739       0.78648451       0.47333259 
          0.81891901       0.01781722       0.45843132 
          0.16699418       0.83260678       0.25738082 
          0.21050071       0.84316313       0.53210394 
          0.16616373       0.83345153       0.36125482 
          0.33369770       0.66599309       0.31183001 
          0.45243125       0.50394156       0.50530374 
          0.33364947       0.66588873       0.20786951 
          0.88458792       0.92731510       0.62375655 
          0.39915459       0.23167974       0.54354679 
          0.87178842       0.43676399       0.43280330 
          0.64897937       0.48794499       0.21515543 
          0.51160323       0.15923322       0.21516239 
          0.84026301       0.35047706       0.21518482 
          0.85266001       0.01656904       0.36058207 
          0.98145942       0.33363148       0.36096206 
          0.66706302       0.14806522       0.36092811 
          0.64816058       0.48151637       0.31108540 
          0.51815821       0.16493324       0.31108802 
          0.83473684       0.35150837       0.31111601 
          0.84958543       0.01612704       0.26341984 
          0.98347822       0.33168066       0.26341706 
          0.66794168       0.15003331       0.26339103 
          0.58073219       0.58416457       0.82575630 
          0.72059802       0.22068265       0.50724949 
          0.93302973       0.45251569       0.40914042 
          0.66699418       0.33260678       0.25738082 
          0.37071242       0.80159018       0.44046890 
          0.66503231       0.33191392       0.36155257 
          0.83369770       0.16599309       0.31183001 
          0.83369242       0.28930821       0.43034993 
          0.83364947       0.16588873       0.20786951 
          0.86103804       0.53656852       0.57623797 
          0.20121028       0.69535575       0.40802084 
          0.51387406       0.97008738       0.60506018 
          0.64897937       0.98794499       0.21515543 
          0.51160323       0.65923322       0.21516239 
          0.84026301       0.85047706       0.21518482 
          0.85032839       0.51626713       0.36056039 
          0.98050464       0.83271378       0.36127044 
          0.66573726       0.64656941       0.36110001 
          0.64816058       0.98151637       0.31108540 
          0.51815821       0.66493324       0.31108802 
          0.83473684       0.85150837       0.31111601 
          0.84958543       0.51612703       0.26341984 
          0.98347822       0.83168066       0.26341706 
          0.66794168       0.65003331       0.26339103 
          0.40435540       0.52916663       0.40442346 
          0.89032438       0.98409587       0.62937959 
          0.27057762       0.35897422       0.87340455 
          0.66699418       0.83260678       0.25738082 
          0.11528285       0.24616625       0.74943337 
          0.66628055       0.83365041       0.36135451 
          0.83369770       0.66599309       0.31183001 
          0.97393903       0.95764546       0.43720209 
          0.83364947       0.66588873       0.20786951 
          0.64521978       0.39425078       0.01358848 
          0.89263257       0.03854447       0.38144894 
          0.92082886       0.06903142       0.66270946 
          0.32815454       0.08378455       0.88215039 
          0.49456236       0.91434864       0.48839160 
          0.80214224       0.84743324       0.64786008 
          0.68215178       0.93838503       0.47066058 
          0.20397365       0.11814937       0.21356624 
          0.38138485       0.08395645       0.21357696 
          0.41555962       0.29555172       0.21359559 
          0.29619725       0.38641407       0.35846277 
          0.11263792       0.41228698       0.36135965 
          0.08897534       0.20178204       0.36068690 
          0.20285171       0.11297491       0.31182023 
          0.38670254       0.08816088       0.31183182 
          0.41151594       0.29682985       0.31184258 
          0.29809771       0.38538420       0.26178949 
          0.11421242       0.41092936       0.26177938 
          0.08868603       0.20151024       0.26176707 
          0.29236040       0.29067812       0.33148389 
          0.64517568       0.17257505       0.47298043 
          0.27873958       0.31359912       0.49186637 
          0.49673312       0.77689002       0.43518336 
          0.39955797       0.79895054       0.52802760 
          0.34973935       0.31510122       0.49808709 
          0.20397365       0.61814937       0.21356624 
          0.38138485       0.58395645       0.21357696 
          0.41555962       0.79555172       0.21359559 
          0.29646915       0.88556247       0.35859395 
          0.11203386       0.91096471       0.36110004 
          0.08843817       0.70096762       0.36116556 
          0.20285171       0.61297491       0.31182023 
          0.38670254       0.58816088       0.31183182 
          0.41151594       0.79682985       0.31184258 
          0.29809771       0.88538420       0.26178949 
          0.11421242       0.91092936       0.26177938 
          0.08868603       0.70151024       0.26176707 
          0.76354476       0.33843624       0.27377606 
          0.49033711       0.63280251       0.57452664 
          0.00113728       0.00577289       0.52676623 
          0.05368348       0.40499589       0.50319462 
          0.61835330       0.38441425       0.68383368 
          0.69776542       0.28206806       0.44264414 
          0.70397365       0.11814937       0.21356624 
          0.88138485       0.08395645       0.21357696 
          0.91555962       0.29555172       0.21359559 
          0.79623319       0.38558859       0.35850183 
          0.61189439       0.40917330       0.35901097 
          0.58763512       0.19889584       0.36140507 
          0.70285171       0.11297491       0.31182023 
          0.88670254       0.08816088       0.31183182 
          0.91151594       0.29682985       0.31184258 
          0.79809771       0.38538420       0.26178949 
          0.61421242       0.41092936       0.26177938 
          0.58868603       0.20151024       0.26176707 
          0.09432613       0.50888435       0.46448553 
          0.26924794       0.44963900       0.54164664 
          0.27223562       0.70469603       0.37744222 
          0.27152377       0.15170001       0.74724752 
          0.83521257       0.75757663       0.51069979 
          0.09931582       0.07632984       0.41927499 
          0.70397365       0.61814937       0.21356624 
          0.88138485       0.58395645       0.21357696 
          0.91555962       0.79555172       0.21359559 
          0.79640556       0.88561795       0.35863272 
          0.61246450       0.91239786       0.36179223 
          0.58852552       0.70171645       0.36090487 
          0.70285171       0.61297491       0.31182023 
          0.88670254       0.58816088       0.31183182 
          0.91151594       0.79682985       0.31184258 
          0.79809771       0.88538420       0.26178949 
          0.61421242       0.91092936       0.26177938 
          0.58868603       0.70151024       0.26176707 
          0.17645751       0.73007328       0.33247296 
          0.52947845       0.70220643       0.55710743 
          0.46064809       0.34503568       0.54866851 
          0.19065177       0.89158698       0.85630179 
          0.98612393       0.69414725       0.72774166 
          0.00601095       0.75598948       0.40764260 
          0.68604869       0.36065871       0.69787189 
          0.32775160       0.29842082       0.49962263 
          0.15082318       0.45246465       0.18661426 
          0.04701090       0.19658132       0.18661424 
          0.30244576       0.34797617       0.18671001 
          0.16767279       0.15257679       0.17488777 
          0.34697822       0.01318044       0.17492519 
          0.48631312       0.33188230       0.17493296 
          0.30724663       0.88980108       0.38617353 
          0.15397801       0.17027026       0.51197651 
          0.01008312       0.93209539       0.18054491 
          0.15082318       0.95246465       0.18661426 
          0.04701090       0.69658132       0.18661424 
          0.30244576       0.84797617       0.18671001 
          0.16767279       0.65257679       0.17488777 
          0.34697821       0.51318044       0.17492519 
          0.48631312       0.83188230       0.17493296 
          0.99586989       0.85387603       0.31535952 
          0.17713263       0.26564178       0.64338611 
          0.84083740       0.18680171       0.41876635 
          0.65082318       0.45246465       0.18661426 
          0.54701090       0.19658132       0.18661424 
          0.80244576       0.34797617       0.18671001 
          0.66767279       0.15257679       0.17488777 
          0.84697822       0.01318044       0.17492519 
          0.98631312       0.33188230       0.17493296 
          0.96941873       0.32197209       0.72552359 
          0.25070479       0.25459694       0.55798943 
          0.53108385       0.14733301       0.88945402 
          0.65082318       0.95246465       0.18661426 
          0.54701090       0.69658132       0.18661424 
          0.80244576       0.84797617       0.18671001 
          0.66767279       0.65257679       0.17488777 
          0.84697821       0.51318044       0.17492519 
          0.98631312       0.83188230       0.17493296 
          0.70465917       0.18991417       0.52472790 
          0.77221620       0.35124861       0.87023754 
          0.74698898       0.20624246       0.72898820 
          0.63694570       0.53535290       0.41674762 
          0.97136949       0.68264539       0.64316488 
          0.08602571       0.60171637       0.63760677 
          0.76935356       0.10043025       0.56569540 
          0.51568593       0.16599392       0.39010917 
          0.84672871       0.11369794       0.50893641 
          0.51564387       0.81794634       0.70110941 
          0.21257029       0.82246407       0.35983198 
          0.55681387       0.31885152       0.92393503 
          0.46638590       0.39481433       0.41611559 
          0.14916840       0.41582593       0.59581953 
          0.38946961       0.96756823       0.56727121 
          0.77466232       0.99923923       0.04063793 
          0.12914149       0.70220525       0.36303045 
          0.03684806       0.33834166       0.68666282 
          0.75808118       0.44660859       0.08735506 
          0.82934207       0.17730680       0.50649601 
          0.78690596       0.41279646       0.26952155 
          0.06436981       0.39498200       0.20067472 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
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     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      22.23   22.31
      26.84   26.92
   
        424.78594012 
     236227.31888031 
    -262843.01599823 
       1422.88347424 
      27677.79599520 
     -26442.92363683 
          0.02755290 
      -2673.87331321 
      35404.90184065 
       9197.90073515 
       9197.87318225 
       9197.89155085