vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 12 
  21:38:37 
 
 
  H2 + *HNSi- on Si slat V5 (pair job 473) test-2
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
       2
        0.00001000
       -0.02000000
     800
       2
       1
      400.00000000
        1.11000000      0.73000000      0.99000000      0.32000000      0.75000000
       -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.01623978       0.46081063       0.07587799 
           0.00528461       0.54192149       0.43445687 
           0.26818751       0.46321974       0.19486227 
           0.25907052       0.54179140       0.31346004 
           0.00000000       0.23711251       0.43249270 
           0.25000000       0.23711251       0.31750730 
           0.00000000       0.31002987       0.06310984 
           0.25000000       0.31002987       0.18689016 
           0.00000000       0.38653400       0.43672229 
           0.25000000       0.38653400       0.31327771 
           0.00866253       0.46418635       0.55609655 
           0.01453272       0.53997075       0.95697489 
           0.25339534       0.46804171       0.69101366 
           0.23864979       0.55004335       0.81528208 
           0.25000000       0.23711251       0.81750730 
           0.00000000       0.31002987       0.56310984 
           0.25000000       0.31002987       0.68689016 
           0.00000000       0.38653400       0.93672229 
           0.25000000       0.38653400       0.81327771 
           0.50709619       0.46653956       0.05476476 
           0.51266580       0.54437817       0.43439660 
           0.75092253       0.46206499       0.19187502 
           0.75874015       0.53965304       0.30702293 
           0.50000000       0.23711251       0.43249270 
           0.75000000       0.23711251       0.31750730 
           0.50000000       0.31002987       0.06310984 
           0.75000000       0.31002987       0.18689016 
           0.50000000       0.38653400       0.43672229 
           0.75000000       0.38653400       0.31327771 
           0.50277519       0.46587228       0.55994893 
           0.48610194       0.55200374       0.94221336 
           0.75821144       0.46409955       0.67964154 
           0.75266778       0.52915555       0.84345532 
           0.50000000       0.23711251       0.93249270 
           0.75000000       0.23711251       0.81750730 
           0.75000000       0.31002987       0.68689016 
           0.50000000       0.38653400       0.93672229 
           0.75000000       0.38653400       0.81327771 
           0.10954548       0.66696131       0.78613577 
           0.53032154       0.66591152       0.48224327 
           0.18815581       0.60899424       0.74306769 
           0.52488251       0.60210327       0.51052120 
           0.98177217       0.59248809       0.53067157 
           0.26990862       0.59533606       0.21837636 
           0.02567499       0.59136756       0.05536199 
           0.76576858       0.59019522       0.20439209 
           0.50678583       0.60304329       0.04007960 
           0.70728734       0.47339319       0.93250727 
           0.98393431       0.18330836       0.52948731 
           0.24581018       0.18298713       0.22120230 
           0.17974402       0.17718370       0.79070766 
           0.77671342       0.18217662       0.23016632 
           0.51004498       0.18455730       0.02989129 
           0.81794950       0.18071941       0.75336903 
           0.25933769       0.69935273       0.92136764 
           0.75707259       0.68708207       0.39297477 
           0.85877879       0.66048223       0.84954687 
           0.54163412       0.70592242       0.64588428 
           0.09272822       0.71687708       0.64117293 
           0.07822161       0.60007192       0.58740566 
           0.16966693       0.59667580       0.15664465 
           0.91975898       0.59439146       0.11234786 
           0.66407217       0.59600755       0.14759439 
           0.41320769       0.60453850       0.10542752 
           0.81185519       0.45081668       0.94957896 
           0.38797842       0.78491920       0.34768490 
           0.30737315       0.66069073       0.33065882 
           0.99324452       0.14888385       0.48996377 
           0.12818615       0.17250045       0.19595463 
           0.05346647       0.17223487       0.77505639 
           0.69396160       0.17820643       0.16076218 
           0.40956323       0.18072537       0.08684898 
           0.85479271       0.18254222       0.66476972 
           0.35990368       0.80796746       0.29409493 
           0.34790727       0.68316423       0.40375603 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
          44 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
          57 
          58 
          59 
          60 
          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       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       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   H2 + *HNSi- on Si slat V5 (pair job 473)
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       11
      188
       -1
       -1
       299.00000000
        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  
         -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
         -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  
           0.00100000
           0.00000001
           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
   
  
  
       40
      126
       54
       80
      252
      108
    F  
  
  
      800
        2
        0
        2
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      800
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.99000000      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  
        28.08500000     16.00000000     35.45300000      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
        16.82612089
         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  
  
 
 
        75 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    Cl   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
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       5Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.01623978       0.46081063       0.07587799 
          0.00528461       0.54192149       0.43445687 
          0.26818751       0.46321974       0.19486227 
          0.25907052       0.54179140       0.31346004 
          0.00000000       0.23711251       0.43249270 
          0.25000000       0.23711251       0.31750730 
          0.00000000       0.31002987       0.06310984 
          0.25000000       0.31002987       0.18689016 
          0.00000000       0.38653400       0.43672229 
          0.25000000       0.38653400       0.31327771 
          0.00866253       0.46418635       0.55609655 
          0.01453272       0.53997075       0.95697489 
          0.25339534       0.46804171       0.69101366 
          0.23864979       0.55004335       0.81528208 
          0.25000000       0.23711251       0.81750730 
          0.00000000       0.31002987       0.56310984 
          0.25000000       0.31002987       0.68689016 
          0.00000000       0.38653400       0.93672229 
          0.25000000       0.38653400       0.81327771 
          0.50709619       0.46653956       0.05476476 
          0.51266580       0.54437817       0.43439660 
          0.75092253       0.46206499       0.19187502 
          0.75874015       0.53965304       0.30702293 
          0.50000000       0.23711251       0.43249270 
          0.75000000       0.23711251       0.31750730 
          0.50000000       0.31002987       0.06310984 
          0.75000000       0.31002987       0.18689016 
          0.50000000       0.38653400       0.43672229 
          0.75000000       0.38653400       0.31327771 
          0.50277519       0.46587228       0.55994893 
          0.48610194       0.55200374       0.94221336 
          0.75821144       0.46409955       0.67964154 
          0.75266778       0.52915555       0.84345532 
          0.50000000       0.23711251       0.93249270 
          0.75000000       0.23711251       0.81750730 
          0.75000000       0.31002987       0.68689016 
          0.50000000       0.38653400       0.93672229 
          0.75000000       0.38653400       0.81327771 
          0.10954548       0.66696131       0.78613577 
          0.53032154       0.66591152       0.48224327 
          0.18815581       0.60899424       0.74306769 
          0.52488251       0.60210327       0.51052120 
          0.98177217       0.59248809       0.53067157 
          0.26990862       0.59533606       0.21837636 
          0.02567499       0.59136756       0.05536199 
          0.76576858       0.59019522       0.20439209 
          0.50678583       0.60304329       0.04007960 
          0.70728734       0.47339319       0.93250727 
          0.98393431       0.18330836       0.52948731 
          0.24581018       0.18298713       0.22120230 
          0.17974402       0.17718370       0.79070766 
          0.77671342       0.18217662       0.23016632 
          0.51004498       0.18455730       0.02989129 
          0.81794950       0.18071941       0.75336903 
          0.25933769       0.69935273       0.92136764 
          0.75707259       0.68708207       0.39297477 
          0.85877879       0.66048223       0.84954687 
          0.54163412       0.70592242       0.64588428 
          0.09272822       0.71687708       0.64117293 
          0.07822161       0.60007192       0.58740566 
          0.16966693       0.59667580       0.15664465 
          0.91975898       0.59439146       0.11234786 
          0.66407217       0.59600755       0.14759439 
          0.41320769       0.60453850       0.10542752 
          0.81185519       0.45081668       0.94957896 
          0.38797842       0.78491920       0.34768490 
          0.30737315       0.66069073       0.33065882 
          0.99324452       0.14888385       0.48996377 
          0.12818615       0.17250045       0.19595463 
          0.05346647       0.17223487       0.77505639 
          0.69396160       0.17820643       0.16076218 
          0.40956323       0.18072537       0.08684898 
          0.85479271       0.18254222       0.66476972 
          0.35990368       0.80796746       0.29409493 
          0.34790727       0.68316423       0.40375603 
  
  
     T  T  T 
     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 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     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 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       5.30    5.34
       5.87    5.91
   
        123.65170997 
      23107.73359363 
     -34596.42783046 
        172.30076964 
      10239.95902789 
      -9563.30171726 
          0.00113281 
       -347.72982317 
      12674.55391393 
       1810.74077699 
       1810.73964418 
       1810.74039939 
   
  
  
       6.28    6.32
       6.28    6.33
   
       -112.10915608 
       -112.08228089 
       -112.10019768 
   
  
  
       5.71    5.75
       5.71    5.76
   
       -408.64679565 
       -408.59091582 
       -408.62816904 
   
  
  
       5.87    5.91
       5.87    5.91
   
       -421.81684689 
       -421.76243605 
       -421.79870995 
   
  
  
       6.22    6.26
       6.41    6.45
   
       -422.30780137 
       -422.25314730 
       -422.28958335 
   
  
  
       6.17    6.21
       6.93    6.97
   
       -395.99853300 
       -395.97197263 
       -395.98967954 
   
  
  
       6.35    6.39
       7.10    7.15
   
       -401.14351056 
       -401.13209738 
       -401.13970617 
   
  
  
       6.24    6.28
       7.00    7.04
   
       -395.47178928 
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       -395.47454693 
   
  
  
       6.14    6.18
       6.90    6.94
   
       -393.65907364 
       -393.69096763 
       -393.66970497 
   
  
  
       5.84    5.89
       6.60    6.65
   
       -394.55476460 
       -394.53282348 
       -394.54745090