vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 07 22 
  23:11:01 
 
 
   (ZrO2)96  (P1) ~ (COD
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
       2
        0.00001000
       -0.02000000
     100
       2
       1
      400.00000000
        1.45000000      0.73000000
   Auto
       1
        0.20000000
       1
   F  
   F  
       4
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
           0.00000000     -10.52487396      -6.64379370 
         -27.07646000       0.00000000       0.00000000 
           0.00000000      17.96467396       6.64379370 
   
      1338.34870480 
   
           0.00000000       0.13441222      -0.36344771 
          -0.03693245       0.00000000       0.00000000 
           0.00000000       0.13441222      -0.21293130 
   
  
  
          0.52416314       0.55040416       0.07733746 
          0.47583686       0.44959584       0.92266254 
          0.31742204       0.22997271       0.97944308 
          0.68257796       0.77002729       0.02055692 
          0.07508464       0.76003921       0.47379716 
          0.92491536       0.23996079       0.52620284 
          0.93845720       0.44114460       0.41812646 
          0.24961818       0.66330229       0.97275424 
          0.75038182       0.33669771       0.02724576 
          0.09007702       0.34300236       0.89972214 
          0.81322414       0.77191044       0.61593740 
          0.18677586       0.22808956       0.38406260 
          0.66714000       0.45213241       0.55335790 
          0.33286000       0.54786759       0.44664210 
          0.36594764       0.76301699       0.17358494 
          0.72613450       0.65271752       0.47535488 
          0.27386550       0.34728248       0.52464512 
          0.54860936       0.33261225       0.39159012 
          0.45139064       0.66738775       0.60840988 
          0.90992298       0.65699764       0.10027786 
          0.13374322       0.44362354       0.05116778 
          0.06154280       0.55885540       0.58187354 
          0.63405236       0.23698301       0.82641506 
          0.86625678       0.55637646       0.94883222 
          0.88567382       0.52724599       0.72516554 
          0.11432618       0.47275401       0.27483446 
          0.68047952       0.20461116       0.61837440 
          0.42483448       0.27689552       0.13816990 
          0.63853708       0.59749445       0.24096352 
          0.90886292       0.68685154       0.34017482 
          0.09113708       0.31314846       0.65982518 
          0.72877736       0.36668461       0.25272502 
          0.27122264       0.63331539       0.74727498 
          0.43450580       0.80798232       0.30033784 
          0.56549420       0.19201768       0.69966216 
          0.25350546       0.49052110       0.21732218 
          0.74649454       0.50947890       0.78267782 
          0.30875144       0.74761173       0.02463750 
          0.69124856       0.25238827       0.97536250 
          0.15220450       0.42755250       0.95295000 
          0.14172698       0.51823055       0.53033958 
          0.95042664       0.20207997       0.44221348 
          0.58533080       0.78828932       0.07572860 
          0.41466920       0.21171068       0.92427140 
          0.45183426       0.46605165       0.01724640 
          0.54816574       0.53394835       0.98275360 
          0.64310966       0.69535507       0.52439588 
          0.35689034       0.30464493       0.47560412 
          0.46225506       0.37469931       0.43965186 
          0.63496330       0.74625418       0.75203070 
          0.36503670       0.25374582       0.24796930 
          0.48878578       0.42138115       0.69413322 
          0.51121422       0.57861885       0.30586678 
          0.14940886       0.61650576       0.81778282 
          0.85059114       0.38349424       0.18221718 
          0.98962878       0.29723368       0.74445336 
          0.01037122       0.70276632       0.25554664 
          0.22990798       0.67982016       0.07022330 
          0.93242502       0.72789463       0.58872244 
          0.06757498       0.27210537       0.41127756 
          0.75058090       0.41039092       0.50393048 
          0.24941910       0.58960908       0.49606952 
          0.31952048       0.79538884       0.38162560 
          0.53774494       0.62530069       0.56034814 
          0.06127370       0.35971605       0.99118390 
          0.57516552       0.72310448       0.86183010 
          0.36146292       0.40250555       0.75903648 
          0.84779550       0.57244750       0.04705000 
          0.85827302       0.48176945       0.46966042 
          0.04957336       0.79792003       0.55778652 
          0.93872630       0.64028395       0.00881610 
          0.77009202       0.32017984       0.92977670 
  
 
 
          1 
          2 
          3 
          4 
          5 
          6 
          7 
          9 
         10 
         11 
         13 
         14 
         15 
         16 
         17 
         21 
         22 
         23 
         24 
         36 
         43 
         56 
         66 
         68 
         97 
         98 
         99 
        102 
        104 
        105 
        106 
        107 
        108 
        109 
        110 
        111 
        112 
        113 
        114 
        115 
        117 
        119 
        121 
        122 
        123 
        124 
        125 
        126 
        127 
        129 
        130 
        131 
        132 
        133 
        134 
        135 
        136 
        140 
        141 
        142 
        143 
        144 
        148 
        176 
        186 
        197 
        199 
        212 
        214 
        216 
        233 
        235 
 
 
  
          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 
  
 
 
  
   (ZrO2)96  (P1) ~ (COD
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       11
     1384
       -1
       -1
      2304.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      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  
           0.00100000
           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
   
  
  
      140
       80
       72
      280
      160
      144
    F  
  
  
      100
        2
        0
        2
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      100
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.45000000      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  
        91.22400000     16.00000000
         0.00000000      0.00000000
         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
        11.15290587
         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
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       288 
         2 
  
   ion
   element
   atomtype
   
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   1
    Zr   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
    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
    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
    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
    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
    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
    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
    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
    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
    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
    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
    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
    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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      96Zr     91.22400000     12.00000000  PAW_PBE Zr_sv 04Jan2005               
     192O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
          27.07646000       0.00000000       0.00000000 
           0.00000000      14.87960000       0.00000000 
           0.00000000       6.17014792      13.28758740 
   
      5353.39481921 
   
           0.03693245       0.00000000       0.00000000 
           0.00000000       0.06720611      -0.03120744 
           0.00000000       0.00000000       0.07525821 
   
  
  
          0.44959584       0.31525589       0.27658716 
          0.55040416       0.18474411       0.22341284 
          0.77002729       0.32073206       0.33101052 
          0.22997271       0.17926794       0.16898948 
          0.23996079       0.43625484       0.19935626 
          0.76003921       0.06374516       0.30064374 
          0.55885540       0.44889786       0.23983463 
          0.44114460       0.05110214       0.26016537 
          0.33669771       0.34794515       0.36156803 
          0.66330229       0.15205485       0.13843197 
          0.65699764       0.35468363       0.40482256 
          0.34300236       0.14531637       0.09517744 
          0.22808956       0.20932533       0.40135663 
          0.77191044       0.29067467       0.09864337 
          0.54786759       0.21978790       0.44310895 
          0.45213241       0.28021210       0.05689105 
          0.23698301       0.49061112       0.40381865 
          0.76301699       0.00938888       0.09618135 
          0.55637646       0.48429617       0.45871228 
          0.44362354       0.01570383       0.04128772 
          0.34728248       0.11228763       0.37461019 
          0.65271752       0.38771237       0.12538981 
          0.66738775       0.11728544       0.42149038 
          0.33261225       0.38271456       0.07850962 
          0.44959584       0.31525589       0.77658716 
          0.55040416       0.18474411       0.72341284 
          0.77002729       0.32073206       0.83101052 
          0.22997271       0.17926794       0.66898948 
          0.23996079       0.43625484       0.69935626 
          0.76003921       0.06374516       0.80064374 
          0.55885540       0.44889786       0.73983463 
          0.44114460       0.05110214       0.76016537 
          0.33669771       0.34794515       0.86156803 
          0.66330229       0.15205485       0.63843197 
          0.65699764       0.35468363       0.90482256 
          0.34300236       0.14531637       0.59517744 
          0.22808956       0.20932533       0.90135663 
          0.77191044       0.29067467       0.59864337 
          0.54786759       0.21978790       0.94310895 
          0.45213241       0.28021210       0.55689105 
          0.23698301       0.49061112       0.90381865 
          0.76301699       0.00938888       0.59618135 
          0.55637646       0.48429617       0.95871228 
          0.44362354       0.01570383       0.54128772 
          0.34728248       0.11228763       0.87461019 
          0.65271752       0.38771237       0.62538981 
          0.66738775       0.11728544       0.92149038 
          0.33261225       0.38271456       0.57850962 
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          0.35971605       0.53945295       0.53504490 
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          0.32017984       0.95526931       0.92015766 
          0.27210537       0.62250993       0.82814871 
          0.72789463       0.87749007       0.67185129 
          0.58960908       0.62864003       0.87667479 
          0.41039092       0.87135997       0.62332521 
  
 
 
  
      36.79   36.81
      38.82   38.84
   
       6488.36508649 
     559338.95499500 
    -753337.80174558 
      10119.87206018 
     162927.02134513 
    -161451.44915693 
         -0.05913947 
      -7026.16105686 
     206279.11398866 
      23337.85637662 
      23337.91551609 
      23337.87608978 
   
  
  
      40.83   40.83
      40.83   40.83
   
       -680.31008816 
       -680.32623609 
       -680.31547080 
   
  
  
      42.17   42.18
      42.17   42.18
   
      -3055.48396506 
      -3055.90239403 
      -3055.62344138 
   
  
  
      56.41   56.40
      56.41   56.41
   
      -3285.56160229 
      -3285.97746937 
      -3285.70022465 
   
  
  
      46.07   46.07
      47.16   47.16
   
      -3325.20480383 
      -3325.61934590 
      -3325.34298452 
   
  
  
      40.30   40.30
      43.35   43.35
   
      -2736.32430898 
      -2736.47648142 
      -2736.37503313 
   
  
  
      44.68   44.69
      47.67   47.68
   
      -2739.35429127 
      -2739.56934220 
      -2739.42597491 
   
  
  
      44.05   44.06
      47.03   47.03
   
      -2739.61188909 
      -2739.87786109 
      -2739.70054643 
   
  
  
      47.64   47.65
      50.37   50.38
   
      -2739.73748595 
      -2739.97676234 
      -2739.81724475 
   
  
  
      43.27   43.28
      45.94   45.95
   
      -2739.72903483 
      -2739.98865597 
      -2739.81557521