vasp 
  6.3.2  
  27Jun22 (build Oct 31 2022 01:10:08) complex                          parallel 
  Lin64 
  2023 03 15 
  08:55:23 
 
 
  kainite_222_600_noD2_0.08_e3_accurate
       0
  Accurate
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
       2
        0.00100000
       -0.08000000
     600
       3
       1
      600.00000000
        2.03000000      1.36000000      1.02000000      0.99000000      0.73000000      0.32000000
   F  
       0
        0.05000000
       1
   F  
   F  
   F  
       1
 
 
  
   
    
           19.67420000       0.00000000       0.00000000 
            9.83710000       8.09120000       0.00000000 
           -0.80742512       0.00000000       9.45699416 
    
       1505.43891808 
    
            0.05082799      -0.06179553       0.00433962 
            0.00000000       0.12359106       0.00000000 
            0.00000000       0.00000000       0.10574184 
    
   
   
           0.69146000       0.00000000       0.41940000 
           0.30854000       0.00000000       0.58060000 
           0.19274000       0.00000000       0.93944000 
           0.80726000       0.00000000       0.06056000 
           0.88826000       0.61266000       0.84773000 
           0.49908000       0.61266000       0.15227000 
           0.11174000       0.38734000       0.15227000 
           0.50092000       0.38734000       0.84773000 
           0.50000000       0.00000000       0.50000000 
           0.00000000       0.00000000       0.00000000 
           1.00000000       0.50000000       0.50000000 
           0.50000000       0.50000000       0.50000000 
           0.75164000       0.49700000       0.24822000 
           0.75136000       0.49700000       0.75178000 
           0.24836000       0.50300000       0.75178000 
           0.24864000       0.50300000       0.24822000 
           0.76590000       0.66246000       0.51696000 
           0.57164000       0.66246000       0.48304000 
           0.23410000       0.33754000       0.48304000 
           0.42836000       0.33754000       0.51696000 
           0.73399000       0.33500000       0.98647000 
           0.93101000       0.33500000       0.01353000 
           0.26601000       0.66500000       0.01353000 
           0.06899000       0.66500000       0.98647000 
           0.21237000       0.00000000       0.27354000 
           0.78763000       0.00000000       0.72646000 
           0.13966000       0.00000000       0.62304000 
           0.86034000       0.00000000       0.37696000 
           0.78924000       0.77956000       0.13560000 
           0.43120000       0.77956000       0.86440000 
           0.21076000       0.22044000       0.86440000 
           0.56880000       0.22044000       0.13560000 
           0.83875000       0.46534000       0.91539000 
           0.69591000       0.46534000       0.08461000 
           0.16125000       0.53466000       0.08461000 
           0.30409000       0.53466000       0.91539000 
           0.80280000       0.53694000       0.41419000 
           0.66026000       0.53694000       0.58581000 
           0.19720000       0.46306000       0.58581000 
           0.33974000       0.46306000       0.41419000 
           0.76303000       0.62426000       0.65747000 
           0.61271000       0.62426000       0.34253000 
           0.23697000       0.37574000       0.34253000 
           0.38729000       0.37574000       0.65747000 
           0.65941000       0.82820000       0.47141000 
           0.51239000       0.82820000       0.52859000 
           0.34059000       0.17180000       0.52859000 
           0.48761000       0.17180000       0.47141000 
           0.98527000       0.17272000       0.96308000 
           0.84201000       0.17272000       0.03692000 
           0.01473000       0.82728000       0.03692000 
           0.15799000       0.82728000       0.96308000 
           0.89223000       0.36858000       0.15636000 
           0.73919000       0.36858000       0.84364000 
           0.10777000       0.63142000       0.84364000 
           0.26081000       0.63142000       0.15636000 
           0.83997000       0.66522000       0.52621000 
           0.49481000       0.66522000       0.47379000 
           0.16003000       0.33478000       0.47379000 
           0.50519000       0.33478000       0.52621000 
           0.00641000       0.33320000       0.01779000 
           0.66039000       0.33320000       0.98221000 
           0.99359000       0.66680000       0.98221000 
           0.33961000       0.66680000       0.01779000 
           0.04007000       0.00000000       0.21913000 
           0.95993000       0.00000000       0.78087000 
           0.52095000       0.00000000       0.71999000 
           0.47905000       0.00000000       0.28001000 
           0.03865000       0.34782000       0.65194000 
           0.61353000       0.34782000       0.34806000 
           0.96135000       0.65218000       0.34806000 
           0.38647000       0.65218000       0.65194000 
           0.66732000       0.71694000       0.14657000 
           0.61574000       0.71694000       0.85343000 
           0.33268000       0.28306000       0.85343000 
           0.38426000       0.28306000       0.14657000 
           0.88429000       0.27098000       0.64843000 
           0.84473000       0.27098000       0.35157000 
           0.11571000       0.72902000       0.35157000 
           0.15527000       0.72902000       0.64843000 
           0.01066000       0.37198000       0.34253000 
           0.61736000       0.37198000       0.65747000 
           0.98934000       0.62802000       0.65747000 
           0.38264000       0.62802000       0.34253000 
           0.64690000       0.00000000       0.84200000 
           0.35310000       0.00000000       0.15800000 
           0.09100000       0.00000000       0.23100000 
           0.90900000       0.00000000       0.76900000 
           0.01400000       0.00000000       0.30500000 
           0.98600000       0.00000000       0.69500000 
           0.57060000       0.00000000       0.75300000 
           0.42940000       0.00000000       0.24700000 
           0.50000000       0.00000000       0.81200000 
           0.50000000       0.00000000       0.18800000 
           0.09690000       0.30000000       0.72400000 
           0.60310000       0.30000000       0.27600000 
           0.90310000       0.70000000       0.27600000 
           0.39690000       0.70000000       0.72400000 
           0.05740000       0.24980000       0.63400000 
           0.69280000       0.24980000       0.36600000 
           0.94260000       0.75020000       0.36600000 
           0.30720000       0.75020000       0.63400000 
           0.71080000       0.73000000       0.14000000 
           0.55920000       0.73000000       0.86000000 
           0.28920000       0.27000000       0.86000000 
           0.44080000       0.27000000       0.14000000 
           0.60010000       0.80780000       0.19800000 
           0.59210000       0.80780000       0.80200000 
           0.39990000       0.19220000       0.80200000 
           0.40790000       0.19220000       0.19800000 
           0.95780000       0.21360000       0.65100000 
           0.82860000       0.21360000       0.34900000 
           0.04220000       0.78640000       0.34900000 
           0.17140000       0.78640000       0.65100000 
           0.89770000       0.18780000       0.69500000 
           0.91450000       0.18780000       0.30500000 
           0.10230000       0.81220000       0.30500000 
           0.08550000       0.81220000       0.69500000 
           0.07520000       0.25080000       0.32700000 
           0.67400000       0.25080000       0.67300000 
           0.92480000       0.74920000       0.67300000 
           0.32600000       0.74920000       0.32700000 
           0.94780000       0.41000000       0.29300000 
           0.64220000       0.41000000       0.70700000 
           0.05220000       0.59000000       0.70700000 
           0.35780000       0.59000000       0.29300000 
           0.69210000       0.00000000       0.80100000 
           0.30790000       0.00000000       0.19900000 
           0.64900000       0.00000000       0.94730000 
           0.35100000       0.00000000       0.05270000 
   
  
  
           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 
  
 
 
  
          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       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.25000000 
          0.12500000 
          0.12500000 
          0.25000000 
          0.12500000 
  
 
 
  
   kainite_222_600_noD2_0.08_e3_accurate
    F  
  
  
   accura
       600.00000000
       605.39200000
         0.00100000
       38
       11
      352
       -1
       -1
       560.00000000
        0
        0
        0
        0
         0.00000000
   
         0
          0.05000000
          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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        600.00000000
    
      T  
      F  
           0.00100000
           0.00000071
           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
   
  
  
      160
      108
       80
      320
      216
      160
    F  
  
  
      600
        2
        0
        3
         0.00000000
        -0.08000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      600
      256
        10.00000000
  
  
        2
         0.00001000
  
  
        0
         2.03000000      1.36000000      1.02000000      0.99000000      0.73000000      0.32000000
      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
  
  
       32
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        39.09800000     24.30500000     32.06600000     35.45300000     16.00000000      1.00000000
         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  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
         6.94817962
         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  
    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
        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  
  
 
 
       130 
         6 
  
   ion
   element
   atomtype
   
    K    1
    K    1
    K    1
    K    1
    K    1
    K    1
    K    1
    K    1
    Mg   2
    Mg   2
    Mg   2
    Mg   2
    Mg   2
    Mg   2
    Mg   2
    Mg   2
    S    3
    S    3
    S    3
    S    3
    S    3
    S    3
    S    3
    S    3
    Cl   4
    Cl   4
    Cl   4
    Cl   4
    Cl   4
    Cl   4
    Cl   4
    Cl   4
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    O    5
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       8K      39.09800000      9.00000000  PAW_PBE K_sv 06Sep2000                
       8Mg     24.30500000      2.00000000  PAW_PBE Mg 13Apr2007                  
       8S      32.06600000      6.00000000  PAW_PBE S 06Sep2000                   
       8Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      54O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      44H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          19.67420000       0.00000000       0.00000000 
           9.83710000       8.09120000       0.00000000 
          -0.80742512       0.00000000       9.45699416 
   
      1505.43891808 
   
           0.05082799      -0.06179553       0.00433962 
           0.00000000       0.12359106       0.00000000 
           0.00000000       0.00000000       0.10574184 
   
  
  
          0.69146000       0.00000000       0.41940000 
          0.30854000       0.00000000       0.58060000 
          0.19274000       0.00000000       0.93944000 
          0.80726000       0.00000000       0.06056000 
          0.88826000       0.61266000       0.84773000 
          0.49908000       0.61266000       0.15227000 
          0.11174000       0.38734000       0.15227000 
          0.50092000       0.38734000       0.84773000 
          0.50000000       0.00000000       0.50000000 
          0.00000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
          0.75164000       0.49700000       0.24822000 
          0.75136000       0.49700000       0.75178000 
          0.24836000       0.50300000       0.75178000 
          0.24864000       0.50300000       0.24822000 
          0.76590000       0.66246000       0.51696000 
          0.57164000       0.66246000       0.48304000 
          0.23410000       0.33754000       0.48304000 
          0.42836000       0.33754000       0.51696000 
          0.73399000       0.33500000       0.98647000 
          0.93101000       0.33500000       0.01353000 
          0.26601000       0.66500000       0.01353000 
          0.06899000       0.66500000       0.98647000 
          0.21237000       0.00000000       0.27354000 
          0.78763000       0.00000000       0.72646000 
          0.13966000       0.00000000       0.62304000 
          0.86034000       0.00000000       0.37696000 
          0.78924000       0.77956000       0.13560000 
          0.43120000       0.77956000       0.86440000 
          0.21076000       0.22044000       0.86440000 
          0.56880000       0.22044000       0.13560000 
          0.83875000       0.46534000       0.91539000 
          0.69591000       0.46534000       0.08461000 
          0.16125000       0.53466000       0.08461000 
          0.30409000       0.53466000       0.91539000 
          0.80280000       0.53694000       0.41419000 
          0.66026000       0.53694000       0.58581000 
          0.19720000       0.46306000       0.58581000 
          0.33974000       0.46306000       0.41419000 
          0.76303000       0.62426000       0.65747000 
          0.61271000       0.62426000       0.34253000 
          0.23697000       0.37574000       0.34253000 
          0.38729000       0.37574000       0.65747000 
          0.65941000       0.82820000       0.47141000 
          0.51239000       0.82820000       0.52859000 
          0.34059000       0.17180000       0.52859000 
          0.48761000       0.17180000       0.47141000 
          0.98527000       0.17272000       0.96308000 
          0.84201000       0.17272000       0.03692000 
          0.01473000       0.82728000       0.03692000 
          0.15799000       0.82728000       0.96308000 
          0.89223000       0.36858000       0.15636000 
          0.73919000       0.36858000       0.84364000 
          0.10777000       0.63142000       0.84364000 
          0.26081000       0.63142000       0.15636000 
          0.83997000       0.66522000       0.52621000 
          0.49481000       0.66522000       0.47379000 
          0.16003000       0.33478000       0.47379000 
          0.50519000       0.33478000       0.52621000 
          0.00641000       0.33320000       0.01779000 
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     221.00  221.55
   
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     257.26  257.88
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       -353.89569744 
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       -743.16901647 
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     279.74  280.43
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       -751.14165409 
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     325.15  325.93
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      -673.75106750 
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   3597.30 3605.99
 
 
  
     251.60  252.19
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       1118.52960793 
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     263.83  264.53
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     258.74  259.35
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     273.78  274.43
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