vasp 
  6.3.2  
  27Jun22 (build Oct 31 2022 01:10:08) complex                          parallel 
  Lin64 
  2023 03 20 
  18:59:38 
 
 
  kainite_100_48_59_23.9_0.08_700_D2_normal_211_e3
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
       2
        0.00100000
       -0.08000000
     500
       2
       1
      700.00000000
        2.03000000      1.36000000      1.02000000      0.99000000      0.73000000      0.32000000
   F  
       0
        0.05000000
       1
   F  
   F  
   F  
       1
       1
 
 
  
   
    
            9.60183000       0.00000000       0.00000000 
            0.00000000      16.05560000       0.00000000 
            0.00000000       0.00000000      23.90000000 
    
       3684.49908778 
    
            0.10414681       0.00000000       0.00000000 
            0.00000000       0.06228356       0.00000000 
            0.00000000       0.00000000       0.04184100 
    
   
   
           0.87097569       0.50000000       0.12900166 
           0.48977910       0.50000000       0.22370513 
           0.58209700       0.80746518       0.22009657 
           0.58209700       0.19253482       0.22009657 
           0.00402431       0.00000000       0.22081947 
           0.38522090       0.00000000       0.12611600 
           0.29290300       0.30746518       0.12972456 
           0.29290300       0.69253482       0.12972456 
           0.93750000       0.75000000       0.17491056 
           0.93750000       0.25000000       0.17491056 
           0.12895002       0.75020056       0.38034048 
           0.12895002       0.24979944       0.38034048 
           0.87500000       0.00000000       0.38169979 
           0.37500000       0.50000000       0.38169979 
           0.62104998       0.75020056       0.38305910 
           0.62104998       0.24979944       0.38305910 
           0.88103088       0.82885514       0.30215344 
           0.88103088       0.17114486       0.30215344 
           0.38715098       0.67107706       0.30097756 
           0.38715098       0.32892294       0.30097756 
           0.99396912       0.32885514       0.04766769 
           0.99396912       0.67114486       0.04766769 
           0.48784902       0.17107706       0.04884357 
           0.48784902       0.82892294       0.04884357 
           0.15383828       0.50000000       0.20943247 
           0.80055211       0.50000000       0.26416611 
           0.28761573       0.88871021       0.23048953 
           0.28761573       0.11128979       0.23048953 
           0.72116172       0.00000000       0.14038866 
           0.07444789       0.00000000       0.08565502 
           0.58738427       0.38871021       0.11933160 
           0.58738427       0.61128979       0.11933160 
           0.47177821       0.74035717       0.32382510 
           0.47177821       0.25964283       0.32382510 
           0.96825060       0.75969855       0.32282430 
           0.96825060       0.24030145       0.32282430 
           0.73502244       0.81747371       0.32079053 
           0.73502244       0.18252629       0.32079053 
           0.93711085       0.91053235       0.32311864 
           0.93711085       0.08946765       0.32311864 
           0.44067054       0.59012589       0.32477495 
           0.44067054       0.40987411       0.32477495 
           0.23824663       0.68361164       0.31775412 
           0.23824663       0.31638836       0.31775412 
           0.88790293       0.83327260       0.23980479 
           0.88790293       0.16672740       0.23980479 
           0.40203648       0.66774011       0.23965418 
           0.40203648       0.33225989       0.23965418 
           0.18123288       0.50000000       0.34380582 
           0.78300595       0.67120239       0.20503206 
           0.78300595       0.32879761       0.20503206 
           0.20490757       0.86382930       0.35301769 
           0.20490757       0.13617070       0.35301769 
           0.71129860       0.63780818       0.35838492 
           0.71129860       0.36219182       0.35838492 
           0.08548054       0.68645891       0.21883175 
           0.08548054       0.31354109       0.21883175 
           0.30135451       0.50000000       0.09805440 
           0.40322179       0.24035717       0.02599602 
           0.40322179       0.75964283       0.02599602 
           0.90674940       0.25969855       0.02699683 
           0.90674940       0.74030145       0.02699683 
           0.13997756       0.31747371       0.02903060 
           0.13997756       0.68252629       0.02903060 
           0.93788915       0.41053235       0.02670249 
           0.93788915       0.58946765       0.02670249 
           0.43432946       0.09012589       0.02504618 
           0.43432946       0.90987411       0.02504618 
           0.63675337       0.18361164       0.03206701 
           0.63675337       0.81638836       0.03206701 
           0.98709707       0.33327260       0.11001634 
           0.98709707       0.66672740       0.11001634 
           0.47296352       0.16774011       0.11016695 
           0.47296352       0.83225989       0.11016695 
           0.56876712       0.50000000       0.41959376 
           0.67791488       0.00000000       0.35195878 
           0.07208512       0.00000000       0.41144080 
           0.09199405       0.17120239       0.14478907 
           0.09199405       0.82879761       0.14478907 
           0.54509243       0.86382930       0.41038189 
           0.54509243       0.13617070       0.41038189 
           0.03870140       0.63780818       0.40501466 
           0.03870140       0.36219182       0.40501466 
           0.78951946       0.18645891       0.13098938 
           0.78951946       0.81354109       0.13098938 
           0.57364549       0.00000000       0.25176673 
           0.17286988       0.50000000       0.30283478 
           0.08665066       0.50000000       0.35883527 
           0.71413746       0.65290863       0.17620489 
           0.71413746       0.34709137       0.17620489 
           0.80020320       0.62087240       0.22799163 
           0.80020320       0.37912760       0.22799163 
           0.25845456       0.86170921       0.31735111 
           0.25845456       0.13829079       0.31735111 
           0.11690665       0.89117581       0.34240106 
           0.11690665       0.10882419       0.34240106 
           0.79306740       0.63617140       0.33373361 
           0.79306740       0.36382860       0.33373361 
           0.63758392       0.60571695       0.33989232 
           0.63758392       0.39428305       0.33989232 
           0.09516800       0.62530606       0.21526082 
           0.09516800       0.37469394       0.21526082 
           0.12513953       0.69906725       0.25575967 
           0.12513953       0.30093275       0.25575967 
           0.25944342       0.50000000       0.13627985 
           0.40315610       0.50000000       0.10100825 
           0.57713012       0.50000000       0.46056480 
           0.66334934       0.50000000       0.40456431 
           0.64790315       0.00000000       0.31208038 
           0.10209685       0.00000000       0.45131920 
           0.59120863       0.00000000       0.37343545 
           0.15879137       0.00000000       0.38996414 
           0.16086254       0.15290863       0.17361624 
           0.16086254       0.84709137       0.17361624 
           0.07479680       0.12087240       0.12182950 
           0.07479680       0.87912760       0.12182950 
           0.49154544       0.86170921       0.44604847 
           0.49154544       0.13829079       0.44604847 
           0.63309335       0.89117581       0.42099853 
           0.63309335       0.10882419       0.42099853 
           0.95693260       0.63617140       0.42966597 
           0.95693260       0.36382860       0.42966597 
           0.11241608       0.60571695       0.42350726 
           0.11241608       0.39428305       0.42350726 
           0.77983200       0.12530606       0.13456031 
           0.77983200       0.87469394       0.13456031 
           0.74986047       0.19906725       0.09406146 
           0.74986047       0.80093275       0.09406146 
           0.61555658       0.00000000       0.21354128 
           0.47184390       0.00000000       0.24881288 
   
  
  
           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        1        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       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 
          0.50000000       0.00000000       0.00000000 
  
  
          0.50000000 
          0.50000000 
  
 
 
  
   kainite_100_48_59_23.9_0.08_700_D2_norma
    F  
  
  
   normal
       700.00000000
       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
        700.00000000
    
      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
   
  
  
       64
      108
      160
      128
      216
      320
    F  
  
  
      500
        2
        0
        2
         0.00000000
        -0.08000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      500
      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
        17.00538041
         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                   
   
  
 
 
  
   
           9.60183000       0.00000000       0.00000000 
           0.00000000      16.05560000       0.00000000 
           0.00000000       0.00000000      23.90000000 
   
      3684.49908778 
   
           0.10414681       0.00000000       0.00000000 
           0.00000000       0.06228356       0.00000000 
           0.00000000       0.00000000       0.04184100 
   
  
  
          0.87097569       0.50000000       0.12900166 
          0.48977910       0.50000000       0.22370513 
          0.58209700       0.80746518       0.22009657 
          0.58209700       0.19253482       0.22009657 
          0.00402431       0.00000000       0.22081947 
          0.38522090       0.00000000       0.12611600 
          0.29290300       0.30746518       0.12972456 
          0.29290300       0.69253482       0.12972456 
          0.93750000       0.75000000       0.17491056 
          0.93750000       0.25000000       0.17491056 
          0.12895002       0.75020056       0.38034048 
          0.12895002       0.24979944       0.38034048 
          0.87500000       0.00000000       0.38169979 
          0.37500000       0.50000000       0.38169979 
          0.62104998       0.75020056       0.38305910 
          0.62104998       0.24979944       0.38305910 
          0.88103088       0.82885514       0.30215344 
          0.88103088       0.17114486       0.30215344 
          0.38715098       0.67107706       0.30097756 
          0.38715098       0.32892294       0.30097756 
          0.99396912       0.32885514       0.04766769 
          0.99396912       0.67114486       0.04766769 
          0.48784902       0.17107706       0.04884357 
          0.48784902       0.82892294       0.04884357 
          0.15383828       0.50000000       0.20943247 
          0.80055211       0.50000000       0.26416611 
          0.28761573       0.88871021       0.23048953 
          0.28761573       0.11128979       0.23048953 
          0.72116172       0.00000000       0.14038866 
          0.07444789       0.00000000       0.08565502 
          0.58738427       0.38871021       0.11933160 
          0.58738427       0.61128979       0.11933160 
          0.47177821       0.74035717       0.32382510 
          0.47177821       0.25964283       0.32382510 
          0.96825060       0.75969855       0.32282430 
          0.96825060       0.24030145       0.32282430 
          0.73502244       0.81747371       0.32079053 
          0.73502244       0.18252629       0.32079053 
          0.93711085       0.91053235       0.32311864 
          0.93711085       0.08946765       0.32311864 
          0.44067054       0.59012589       0.32477495 
          0.44067054       0.40987411       0.32477495 
          0.23824663       0.68361164       0.31775412 
          0.23824663       0.31638836       0.31775412 
          0.88790293       0.83327260       0.23980479 
          0.88790293       0.16672740       0.23980479 
          0.40203648       0.66774011       0.23965418 
          0.40203648       0.33225989       0.23965418 
          0.18123288       0.50000000       0.34380582 
          0.78300595       0.67120239       0.20503206 
          0.78300595       0.32879761       0.20503206 
          0.20490757       0.86382930       0.35301769 
          0.20490757       0.13617070       0.35301769 
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      -663.63570709 
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   3328.25 3336.26
 
 
  
     256.37  256.97
     259.24  259.88
   
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       -655.06072506 
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     310.74  311.48
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       -655.19021048 
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       -655.07928686 
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     297.21  297.92
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     296.80  297.50
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   2939.29 2946.41
 
 
  
     256.32  256.93
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     315.05  315.79
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     265.73  266.36
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       -657.40413946 
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     297.07  297.77
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   2340.34 2346.42
 
 
  
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      -668.88880811 
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   3062.49 3070.30
 
 
  
     256.42  257.19
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       -660.75931796 
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     288.45  289.13
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     283.90  284.57
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     274.88  275.56
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      -669.45380921 
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   2082.21 2087.21
 
 
  
     256.99  257.73
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     293.19  293.88
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       -661.40320712 
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     297.48  298.18
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       -661.35129756 
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     275.40  276.05
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       -661.32359884 
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     284.53  285.20
     287.43  288.11
   
       -661.31625079 
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     275.13  275.97
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       -661.31485554 
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     221.25  221.78
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   2700.12 2707.27
 
 
  
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