kainite_222_600_noD2_0.08_e3_accurate
1
19.674200 0.000000 0.000000
9.837100 8.091200 0.000000
-0.807425 0.000000 9.456994
K Mg S Cl O H
8 8 8 8 54 44
Direct configuration= 1
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
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0.50000000 0.50000000 0.50000000
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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
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0.21076000 0.22044000 0.86440000
0.56880000 0.22044000 0.13560000
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0.34059000 0.17180000 0.52859000
0.48761000 0.17180000 0.47141000
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0.15799000 0.82728000 0.96308000
0.89223000 0.36858000 0.15636000
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0.10777000 0.63142000 0.84364000
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0.83997000 0.66522000 0.52621000
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0.03865000 0.34782000 0.65194000
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0.66732000 0.71694000 0.14657000
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0.38426000 0.28306000 0.14657000
0.88429000 0.27098000 0.64843000
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0.01066000 0.37198000 0.34253000
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0.38264000 0.62802000 0.34253000
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0.09690000 0.30000000 0.72400000
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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
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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
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0.69210000 0.00000000 0.80100000
0.30790000 0.00000000 0.19900000
0.64900000 0.00000000 0.94730000
0.35100000 0.00000000 0.05270000
kainite_222_600_noD2_0.08_e3_accurate
1
19.792084 0.000000 0.054509
9.896042 8.173920 0.027255
-0.786061 0.000000 9.540194
K Mg S Cl O H
8 8 8 8 54 44
Direct configuration= 2
0.69147099 -0.00000000 0.41928122
0.30852901 -0.00000000 0.58071878
0.19286395 -0.00000000 0.93939723
0.80713605 -0.00000000 0.06060277
0.88824195 0.61252448 0.84776754
0.49923357 0.61252448 0.15223246
0.11175805 0.38747552 0.15223246
0.50076643 0.38747552 0.84776754
0.50000000 -0.00000000 0.50000000
0.00000000 -0.00000000 -0.00000000
0.00000000 0.50000000 0.50000000
0.50000000 0.50000000 0.50000000
0.75147362 0.49728645 0.24799740
0.75123994 0.49728645 0.75200260
0.24852638 0.50271355 0.75200260
0.24876006 0.50271355 0.24799740
0.76761310 0.65838030 0.51519450
0.57400659 0.65838030 0.48480550
0.23238690 0.34161970 0.48480550
0.42599341 0.34161970 0.51519450
0.73244006 0.33836626 0.98774024
0.92919367 0.33836626 0.01225976
0.26755994 0.66163374 0.01225976
0.07080633 0.66163374 0.98774024
0.21215401 -0.00000000 0.27361971
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0.86060934 -0.00000000 0.37697440
0.78897918 0.78003193 0.13561927
0.43098890 0.78003193 0.86438073
0.21102082 0.21996807 0.86438073
0.56901110 0.21996807 0.13561927
0.83837276 0.46621620 0.91439234
0.69541104 0.46621620 0.08560766
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0.30458896 0.53378380 0.91439234
0.80321038 0.53630759 0.41331385
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0.19678962 0.46369241 0.58668615
0.33951798 0.46369241 0.41331385
0.76267576 0.62426096 0.66106054
0.61306327 0.62426096 0.33893946
0.23732424 0.37573904 0.33893946
0.38693673 0.37573904 0.66106054
0.65610179 0.83365654 0.47090746
0.51024167 0.83365654 0.52909254
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0.10804833 0.63113746 0.84017028
0.26081421 0.63113746 0.15982972
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0.38285535 0.28291575 0.14847612
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0.39877978 0.69827311 0.72516699
0.05619235 0.25238034 0.63264377
0.69142732 0.25238034 0.36735623
0.94380765 0.74761966 0.36735623
0.30857268 0.74761966 0.63264377
0.70875215 0.73283015 0.14142218
0.55841770 0.73283015 0.85857782
0.29124785 0.26716985 0.85857782
0.44158230 0.26716985 0.14142218
0.60575961 0.80154208 0.19733865
0.59269831 0.80154208 0.80266135
0.39424039 0.19845792 0.80266135
0.40730169 0.19845792 0.19733865
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0.17167124 0.78419525 0.65031097
0.89466981 0.19528963 0.69426839
0.91004055 0.19528963 0.30573161
0.10533019 0.80471037 0.30573161
0.08995945 0.80471037 0.69426839
0.07364497 0.25281272 0.32694279
0.67354232 0.25281272 0.67305721
0.92635503 0.74718728 0.67305721
0.32645768 0.74718728 0.32694279
0.94988396 0.40731622 0.29382457
0.64279981 0.40731622 0.70617543
0.05011604 0.59268378 0.70617543
0.35720019 0.59268378 0.29382457
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0.30822436 -0.00000000 0.19573799
0.65038819 -0.00000000 0.94381338
0.34961181 -0.00000000 0.05618662
kainite_222_600_noD2_0.08_e3_accurate
1
19.720333 0.000000 0.021332
9.860166 8.123572 0.010666
-0.799065 0.000000 9.489553
K Mg S Cl O H
8 8 8 8 54 44
Direct configuration= 3
0.69146424 -0.00000000 0.41935292
0.30853576 -0.00000000 0.58064708
0.19278894 -0.00000000 0.93942347
0.80721106 -0.00000000 0.06057653
0.88825306 0.61260613 0.84774459
0.49914081 0.61260613 0.15225541
0.11174694 0.38739387 0.15225541
0.50085919 0.38739387 0.84774459
0.50000000 -0.00000000 0.50000000
0.00000000 -0.00000000 -0.00000000
0.00000000 0.50000000 0.50000000
0.50000000 0.50000000 0.50000000
0.75157373 0.49711386 0.24813163
0.75131241 0.49711386 0.75186837
0.24842627 0.50288614 0.75186837
0.24868759 0.50288614 0.24813163
0.76658021 0.66083832 0.51625860
0.57258147 0.66083832 0.48374140
0.23341979 0.33916168 0.48374140
0.42741853 0.33916168 0.51625860
0.73337468 0.33633809 0.98697429
0.93028723 0.33633809 0.01302571
0.26662532 0.66366191 0.01302571
0.06971277 0.66366191 0.98697429
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0.86044643 -0.00000000 0.37696664
0.78913640 0.77974759 0.13560756
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0.21086360 0.22025241 0.86439244
0.56888399 0.22025241 0.13560756
0.83859903 0.46568829 0.91499449
0.69571267 0.46568829 0.08500551
0.16140097 0.53431171 0.08500551
0.30428733 0.53431171 0.91499449
0.80296214 0.53668862 0.41384280
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0.38715354 0.37573962 0.65889294
0.65809594 0.83036897 0.47120867
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