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configuration= 5 0.69148255 0.00000000 0.41929848 0.30851745 0.00000000 0.58070152 0.19285645 0.00000000 0.93936108 0.80714355 0.00000000 0.06063892 0.88821955 0.61255658 0.84772244 0.49922387 0.61255658 0.15227756 0.11178045 0.38744342 0.15227756 0.50077613 0.38744342 0.84772244 0.50000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000 0.00000000 0.50000000 0.50000000 0.50000000 0.50000000 0.50000000 0.75148240 0.49720765 0.24793107 0.75130995 0.49720765 0.75206893 0.24851760 0.50279235 0.75206893 0.24869005 0.50279235 0.24793107 0.76564521 0.66272917 0.51675983 0.57162562 0.66272917 0.48324017 0.23435479 0.33727083 0.48324017 0.42837438 0.33727083 0.51675983 0.73399945 0.33478167 0.98684536 0.93121888 0.33478167 0.01315464 0.26600055 0.66521833 0.01315464 0.06878112 0.66521833 0.98684536 0.21210824 0.00000000 0.27365059 0.78789176 0.00000000 0.72634941 0.13928544 0.00000000 0.62288479 0.86071456 0.00000000 0.37711521 0.78885664 0.78011414 0.13561868 0.43102921 0.78011414 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0.67320335 0.32603801 0.74785541 0.32679665 0.94934974 0.40725434 0.29308550 0.64339592 0.40725434 0.70691450 0.05065026 0.59274566 0.70691450 0.35660408 0.59274566 0.29308550 0.69179379 0.00000000 0.80467648 0.30820621 0.00000000 0.19532352 0.65061962 0.00000000 0.94463468 0.34938038 0.00000000 0.05536532 kainite_222_400_noD2_0.08_e3 1 19.485665 0.000000 0.081268 9.742832 8.065855 0.040634 -0.760558 0.000000 9.373201 K Mg S Cl O H 8 8 8 8 54 44 Direct configuration= 6 0.69166826 0.00000000 0.41919706 0.30833174 0.00000000 0.58080294 0.19301164 0.00000000 0.93914769 0.80698836 0.00000000 0.06085231 0.88816223 0.61247183 0.84768927 0.49936594 0.61247183 0.15231073 0.11183777 0.38752817 0.15231073 0.50063406 0.38752817 0.84768927 0.50000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000 0.00000000 0.50000000 0.50000000 0.50000000 0.50000000 0.50000000 0.75153071 0.49694285 0.24782255 0.75152644 0.49694285 0.75217745 0.24846929 0.50305715 0.75217745 0.24847356 0.50305715 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0.58075682 0.19294157 0.00000000 0.93924436 0.80705843 0.00000000 0.06075564 0.88818812 0.61250998 0.84770410 0.49930190 0.61250998 0.15229590 0.11181188 0.38749002 0.15229590 0.50069810 0.38749002 0.84770410 0.50000000 0.00000000 0.50000000 0.00000000 0.00000000 0.00000000 0.00000000 0.50000000 0.50000000 0.50000000 0.50000000 0.50000000 0.75150901 0.49706204 0.24787146 0.75142895 0.49706204 0.75212854 0.24849099 0.50293796 0.75212854 0.24857105 0.50293796 0.24787146 0.76620145 0.66156949 0.51664823 0.57222906 0.66156949 0.48335177 0.23379855 0.33843051 0.48335177 0.42777094 0.33843051 0.51664823 0.73360358 0.33539976 0.98668120 0.93099666 0.33539976 0.01331880 0.26639642 0.66460024 0.01331880 0.06900334 0.66460024 0.98668120 0.21194736 0.00000000 0.27370390 0.78805264 0.00000000 0.72629610 0.13902085 0.00000000 0.62265192 0.86097915 0.00000000 0.37734808 0.78853630 0.78054754 0.13559840 0.43091616 0.78054754 0.86440160 0.21146370 0.21945246 0.86440160 0.56908384 0.21945246 0.13559840 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