vasp 
  6.4.1  
  05Apr23 (build Apr 16 2023 21:42:41) complex                          parallel 
  Lin64 
  2025 03 31 
  17:49:47 
 
 
  structure opt. Si35BC10N11O43H31 from job 1600 (MD anneal) type-2
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
       2
        0.00001000
       -0.02000000
     800
       2
       1
      400.00000000
        1.11000000      0.77000000      0.75000000      0.32000000      0.82000000      0.73000000
   F  
       1
        0.20000000
       1
   F  
   F  
   F  
       1
 
 
  
   
    
           11.36761481       0.00000000       0.00000000 
            0.00000000      11.36761481       0.00000000 
            0.00000000       0.00000000      11.36761481 
    
       1468.95349714 
    
            0.08796920       0.00000000       0.00000000 
            0.00000000       0.08796920       0.00000000 
            0.00000000       0.00000000       0.08796920 
    
   
   
           0.95171340       0.07674867       0.76632606 
           0.95885127       0.30459865       0.50296979 
           0.25581188       0.52710220       0.84899355 
           0.37292282       0.25472962       0.55569735 
           0.28649241       0.53274259       0.50640470 
           0.40842840       0.34270493       0.30361303 
           0.53713423       0.19905400       0.84058037 
           0.68817867       0.53916039       0.56806061 
           0.14447747       0.48574770       0.06902756 
           0.88659147       0.48989691       0.03861684 
           0.14935519       0.70696976       0.85163710 
           0.02086386       0.93514931       0.54819750 
           0.35777542       0.07734760       0.00701699 
           0.17127771       0.88721823       0.17365484 
           0.44890189       0.04438096       0.42941503 
           0.50652833       0.77471398       0.27241201 
           0.35724174       0.13925535       0.28509814 
           0.45867906       0.69933102       0.03200303 
           0.70588274       0.80392243       0.26109092 
           0.81667662       0.90319498       0.92177873 
           0.36963611       0.85371544       0.84646537 
           0.79580788       0.13448311       0.09278609 
           0.52125877       0.41520020       0.86483162 
           0.85591874       0.45394710       0.77425919 
           0.67287505       0.27647696       0.49752239 
           0.46349510       0.58041631       0.43417253 
           0.58869675       0.10047306       0.58691044 
           0.58137314       0.47881108       0.12307915 
           0.78260193       0.98667291       0.43645501 
           0.06726708       0.66813268       0.54938384 
           0.64774127       0.13038497       0.29203500 
           0.15310645       0.14663823       0.43779887 
           0.80731460       0.55622705       0.21757273 
           0.02409091       0.71802655       0.01814382 
           0.94176815       0.51572687       0.46727328 
           0.06832071       0.19796767       0.71623482 
           0.23822796       0.42355287       0.71549133 
           0.20486871       0.47191704       0.37475250 
           0.57363242       0.51953504       0.75154244 
           0.06665471       0.35122127       0.13425019 
           0.06407642       0.75351257       0.70563076 
           0.19042803       0.07339693       0.00373912 
           0.38033563       0.89788288       0.46835287 
           0.28394961       0.54707753       0.12491247 
           0.70235601       0.89135737       0.12337787 
           0.02047917       0.29346236       0.64246515 
           0.32718187       0.41884237       0.61513909 
           0.26391011       0.39373165       0.29405711 
           0.69021738       0.55493502       0.72179583 
           0.95702274       0.36211976       0.06511683 
           0.12259411       0.86895379       0.66967927 
           0.13362829       0.96806686       0.05221428 
           0.39939008       0.84348231       0.35110444 
           0.31841486       0.63105960       0.02167100 
           0.79945759       0.96410708       0.09167006 
           0.40687506       0.94847215       0.95864421 
           0.13284431       0.14474513       0.66746284 
           0.11598764       0.24075934       0.78920448 
           0.96982263       0.34938884       0.69094810 
           0.15125406       0.43206509       0.67301326 
           0.23407838       0.33669076       0.75941010 
           0.40762903       0.44498047       0.64484401 
           0.16813091       0.55426501       0.33659776 
           0.13309851       0.42766890       0.42571477 
           0.20198726       0.34474133       0.25259463 
           0.52106292       0.59638143       0.77726335 
           0.53003070       0.47724534       0.67693902 
           0.70795523       0.63661264       0.75615771 
           0.04952297       0.32797350       0.22660165 
           0.11835184       0.28106922       0.09403939 
           0.90507752       0.28788513       0.07320022 
           0.13772100       0.92122822       0.73533908 
           0.97441125       0.78618178       0.72475828 
           0.21774403       0.85639845       0.64500337 
           0.15795133       0.07718244       0.91190058 
           0.15650350       0.15124557       0.05093590 
           0.06077229       0.94630445       0.00467686 
           0.28613390       0.90573304       0.47990063 
           0.41090004       0.85209173       0.54514812 
           0.32015395       0.83589263       0.30619592 
           0.31154528       0.58279833       0.20988164 
           0.33514379       0.46894202       0.10307650 
           0.26608089       0.70591494       0.02438531 
           0.62547186       0.94995956       0.11819777 
           0.68617926       0.81987191       0.05728385 
           0.87465584       0.94168410       0.13635730 
           0.48854691       0.92776233       0.98928097 
           0.77308703       0.21792279       0.83155764 
           0.76857384       0.34430942       0.83818622 
           0.67255518       0.16837894       0.89053991 
           0.64428399       0.40489822       0.55590510 
           0.47336488       0.63172899       0.30104738 
           0.58587072       0.61950843       0.50398172 
           0.53620735       0.11405297       0.72521825 
           0.82688035       0.15730226       0.74578796 
           0.48058822       0.40129206       0.19031785 
           0.58679811       0.40581871       0.99796288 
           0.69894297       0.01252687       0.55271298 
           0.74417190       0.85807536       0.38859801 
           0.02697892       0.79436263       0.48860866 
           0.91984270       0.98203051       0.44434241 
           0.61303949       0.26007691       0.35726450 
           0.65815400       0.15686882       0.15035236 
           0.20966964       0.13467345       0.30927875 
           0.23383453       0.21898424       0.52946914 
           0.78619450       0.69292421       0.23129793 
           0.69517307       0.47253818       0.22073967 
           0.02657217       0.57402679       0.06885133 
           0.85386305       0.53287342       0.90332078 
           0.81015528       0.57381135       0.50136850 
           0.91770305       0.53029714       0.31238023 
           0.39028507       0.87986571       0.71292596 
           0.77715765       0.08123004       0.32349485 
           0.45544657       0.73955436       0.89187463 
           0.90403011       0.77342242       0.96252359 
           0.03232856       0.22229706       0.41321404 
           0.13581735       0.01801870       0.50206781 
           0.94380524       0.00345770       0.88820941 
           0.08037691       0.78307787       0.13846453 
           0.37579364       0.10055106       0.14464920 
           0.38473986       0.48161263       0.87690715 
           0.46210261       0.43258228       0.41297418 
           0.17217255       0.44144585       0.93348150 
           0.45117507       0.80038734       0.13706916 
           0.21046798       0.62733240       0.56752256 
           0.23310262       0.81482408       0.88985431 
           0.94245867       0.97362094       0.66702559 
           0.55466660       0.03104825       0.33131106 
           0.56224027       0.61558323       0.08987545 
           0.81804476       0.27370706       0.48471056 
           0.42437458       0.18738537       0.93289346 
   
  
  
           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 
          76 
          77 
          78 
          79 
          80 
          81 
          82 
          83 
          84 
          85 
          86 
          87 
          88 
          89 
          90 
          91 
          92 
          93 
          94 
          95 
          96 
          97 
          98 
          99 
         100 
         101 
         102 
         103 
         104 
         105 
         106 
         107 
         108 
         109 
         110 
         111 
         112 
         113 
         114 
         115 
         116 
         117 
         118 
         119 
         120 
         121 
         122 
         123 
         124 
         125 
         126 
         127 
         128 
         129 
         130 
         131 
  
 
 
  
          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 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   structure opt. Si35BC10N11O43H31 from jo
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       11
      332
       -1
       -1
       527.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     F  
          0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      -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
     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
   
  
  
       56
       56
       56
      112
      112
      112
    F  
  
  
      800
        2
        0
        2
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      800
      256
        10.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.77000000      0.75000000      0.32000000      0.82000000      0.73000000
      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     12.01100000     14.00100000      1.00000000     10.81100000     16.00000000
         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  
    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  
        1
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
         6.72803128
         1.00000000
  
  
    F  
    F  
    F  
    F  
         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  
       -1
       -1
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -1.60000002
        -1.60000002
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
        1
        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
  
  
        1
    F  
  
  
    F  
  
 
 
       131 
         6 
  
   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
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    N    3
    N    3
    N    3
    N    3
    N    3
    N    3
    N    3
    N    3
    N    3
    N    3
    N    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
    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
    H    4
    B    5
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
    O    6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      35Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      10C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      11N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      31H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1B      10.81100000      3.00000000  PAW_PBE B 06Sep2000                   
      43O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
          11.36761481       0.00000000       0.00000000 
           0.00000000      11.36761481       0.00000000 
           0.00000000       0.00000000      11.36761481 
   
      1468.95349714 
   
           0.08796920       0.00000000       0.00000000 
           0.00000000       0.08796920       0.00000000 
           0.00000000       0.00000000       0.08796920 
   
  
  
          0.95171340       0.07674867       0.76632606 
          0.95885127       0.30459865       0.50296979 
          0.25581188       0.52710220       0.84899355 
          0.37292282       0.25472962       0.55569735 
          0.28649241       0.53274259       0.50640470 
          0.40842840       0.34270493       0.30361303 
          0.53713423       0.19905400       0.84058037 
          0.68817867       0.53916039       0.56806061 
          0.14447747       0.48574770       0.06902756 
          0.88659147       0.48989691       0.03861684 
          0.14935519       0.70696976       0.85163710 
          0.02086386       0.93514931       0.54819750 
          0.35777542       0.07734760       0.00701699 
          0.17127771       0.88721823       0.17365484 
          0.44890189       0.04438096       0.42941503 
          0.50652833       0.77471398       0.27241201 
          0.35724174       0.13925535       0.28509814 
          0.45867906       0.69933102       0.03200303 
          0.70588274       0.80392243       0.26109092 
          0.81667662       0.90319498       0.92177873 
          0.36963611       0.85371544       0.84646537 
          0.79580788       0.13448311       0.09278609 
          0.52125877       0.41520020       0.86483162 
          0.85591874       0.45394710       0.77425919 
          0.67287505       0.27647696       0.49752239 
          0.46349510       0.58041631       0.43417253 
          0.58869675       0.10047306       0.58691044 
          0.58137314       0.47881108       0.12307915 
          0.78260193       0.98667291       0.43645501 
          0.06726708       0.66813268       0.54938384 
          0.64774127       0.13038497       0.29203500 
          0.15310645       0.14663823       0.43779887 
          0.80731460       0.55622705       0.21757273 
          0.02409091       0.71802655       0.01814382 
          0.94176815       0.51572687       0.46727328 
          0.06832071       0.19796767       0.71623482 
          0.23822796       0.42355287       0.71549133 
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          0.42437458       0.18738537       0.93289346 
  
 
 
  
   
   
   
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       -649.27201041 
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           11.36761481       0.00000000       0.00000000 
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       1468.95349714 
    
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         17.85036465      -3.05348264     -15.45277025 
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        -15.45277065       3.32765834     -16.05622890 
  
  
      -852.67679417 
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