No title
1
13.835340 0.000000 0.000000
0.000000 13.835340 0.000000
0.000000 0.000000 24.767960
Ti O Si C H Cl
72 145 1 3 10 1
Direct configuration= 1
0.00455633 0.16502387 0.59044001
0.17042315 0.33221946 0.27266532
0.00581770 0.16312117 0.45989167
0.17042315 0.33221946 0.39144741
0.00375648 0.16555279 0.33205637
0.17301031 0.33117932 0.50719175
0.00375648 0.16555279 0.21327428
0.17283258 0.33195019 0.62295282
0.00803419 0.49433190 0.58797689
0.17042315 0.66555279 0.27266532
0.00500066 0.49804988 0.45933872
0.17042315 0.66555279 0.39144741
0.00375648 0.49888613 0.33205637
0.17328962 0.66260244 0.50727789
0.00375648 0.49888613 0.21327428
0.17043882 0.66523540 0.62304250
0.00293333 0.83131477 0.59019473
0.17042315 0.99888613 0.27266532
0.00555886 0.82901941 0.46017242
0.17042315 0.99888613 0.39144741
0.00375648 0.83221946 0.33205637
0.17142598 0.99706449 0.50700906
0.00375648 0.83221946 0.21327428
0.17031933 0.99831820 0.62309406
0.33703710 0.16525958 0.58954166
0.50375648 0.33221946 0.27266532
0.33788969 0.16494742 0.45937228
0.50375648 0.33221946 0.39144741
0.33708981 0.16555279 0.33205637
0.50663323 0.32965494 0.50722669
0.33708981 0.16555279 0.21327428
0.50463320 0.33204401 0.62299380
0.34100292 0.50214632 0.59062343
0.50375648 0.66555279 0.27266532
0.34103316 0.49726949 0.46030211
0.50375648 0.66555279 0.39144741
0.33708981 0.49888613 0.33205637
0.50495960 0.66205841 0.51127509
0.33708981 0.49888613 0.21327428
0.50559161 0.66740706 0.63281320
0.33344457 0.83487083 0.58674718
0.50375648 0.99888613 0.27266532
0.33960063 0.82942057 0.45926631
0.50375648 0.99888613 0.39144741
0.33708981 0.83221946 0.33205637
0.50388194 0.99899020 0.50710553
0.33708981 0.83221946 0.21327428
0.50258320 0.99945156 0.62307693
0.67098916 0.16511724 0.58970570
0.83708981 0.33221946 0.27266532
0.67329960 0.16278257 0.45994732
0.83708981 0.33221946 0.39144741
0.67042315 0.16555279 0.33205637
0.84015859 0.32925151 0.50706096
0.67042315 0.16555279 0.21327428
0.83788188 0.33138543 0.62318031
0.67491933 0.49613319 0.58730384
0.83708981 0.66555279 0.27266532
0.67269524 0.49758321 0.45942616
0.83708981 0.66555279 0.39144741
0.67042315 0.49888613 0.33205637
0.83900088 0.66375272 0.50889631
0.67042315 0.49888613 0.21327428
0.84139078 0.66106285 0.62699677
0.66312374 0.83442815 0.58653581
0.83708981 0.99888613 0.27266532
0.67153997 0.82733577 0.45928763
0.83708981 0.99888613 0.39144741
0.67042315 0.83221946 0.33205637
0.83893537 0.99513234 0.50719198
0.67042315 0.83221946 0.21327428
0.83694917 0.99819447 0.62295208
0.10468442 0.26437977 0.57428283
0.26445648 0.23818613 0.27266532
0.07638981 0.09291946 0.27266532
0.23793084 0.06559503 0.57382181
0.10523724 0.26578618 0.45397347
0.26445648 0.23818613 0.39144741
0.07638981 0.09291946 0.39144741
0.23639455 0.06495404 0.45368051
0.09778981 0.25958613 0.33205637
0.27228202 0.23080003 0.51456623
0.07029460 0.09903943 0.51445124
0.24305648 0.07151946 0.33205637
0.09778981 0.25958613 0.21327428
0.26686096 0.23545279 0.63866583
0.07542149 0.09422713 0.63912568
0.24305648 0.07151946 0.21327428
0.10510901 0.59686811 0.57365476
0.26445648 0.57151946 0.27266532
0.07638981 0.42625279 0.27266532
0.23882670 0.39882784 0.57390080
0.10487920 0.59871730 0.45354063
0.26445648 0.57151946 0.39144741
0.07638981 0.42625279 0.39144741
0.23722478 0.39792841 0.45375989
0.09778981 0.59291946 0.33205637
0.27263129 0.56422790 0.51463417
0.07044186 0.43251829 0.51429926
0.24305648 0.40485279 0.33205637
0.09778981 0.59291946 0.21327428
0.26514276 0.57067471 0.63912638
0.07708347 0.42524124 0.63872238
0.24305648 0.40485279 0.21327428
0.10349346 0.93133721 0.57369358
0.26445648 0.90485279 0.27266532
0.07638981 0.75958613 0.27266532
0.23437901 0.73284514 0.57289700
0.10429688 0.93261392 0.45366232
0.26445648 0.90485279 0.39144741
0.07638981 0.75958613 0.39144741
0.23682304 0.73096909 0.45365049
0.09778981 0.92625279 0.33205637
0.27131791 0.89781280 0.51315382
0.06951344 0.76472486 0.51415650
0.24305648 0.73818613 0.33205637
0.09778981 0.92625279 0.21327428
0.26356667 0.90532377 0.63896381
0.07547205 0.76025950 0.63864792
0.24305648 0.73818613 0.21327428
0.43705687 0.26405190 0.57420184
0.59778981 0.23818613 0.27266532
0.40972315 0.09291946 0.27266532
0.57072287 0.06608304 0.57410777
0.43783771 0.26570892 0.45359391
0.59778981 0.23818613 0.39144741
0.40972315 0.09291946 0.39144741
0.57044132 0.06417369 0.45366930
0.43112315 0.25958613 0.33205637
0.60528022 0.22985205 0.51413928
0.40357981 0.09966995 0.51395158
0.57638981 0.07151946 0.33205637
0.43112315 0.25958613 0.21327428
0.59950451 0.23566590 0.63847569
0.40828168 0.09422187 0.63877718
0.57638981 0.07151946 0.21327428
0.43690808 0.59765417 0.57759987
0.59778981 0.57151946 0.27266532
0.40972315 0.42625279 0.27266532
0.57233003 0.39530468 0.57293709
0.43891092 0.59953326 0.45515135
0.59778981 0.57151946 0.39144741
0.40972315 0.42625279 0.39144741
0.57032994 0.39768599 0.45375601
0.43112315 0.59291946 0.33205637
0.60590649 0.56379345 0.51445390
0.40445734 0.43240591 0.51458113
0.57638981 0.40485279 0.33205637
0.43112315 0.59291946 0.21327428
0.60229559 0.56395103 0.63160866
0.40937384 0.42560246 0.63894279
0.57638981 0.40485279 0.21327428
0.43596898 0.93438555 0.57320478
0.59778981 0.90485279 0.27266532
0.40972315 0.75958613 0.27266532
0.57139856 0.73307664 0.57740437
0.43840274 0.93255837 0.45380346
0.59778981 0.90485279 0.39144741
0.40972315 0.75958613 0.39144741
0.56952028 0.73051607 0.45540738
0.43112315 0.92625279 0.33205637
0.60529625 0.89693215 0.51513974
0.40309402 0.76600767 0.51418026
0.57638981 0.73818613 0.33205637
0.43112315 0.92625279 0.21327428
0.59866208 0.90512497 0.63797762
0.40244709 0.76335395 0.63138884
0.57638981 0.73818613 0.21327428
0.77077971 0.26388694 0.57380413
0.93112315 0.23818613 0.27266532
0.74305648 0.09291946 0.27266532
0.90492202 0.06563028 0.57434861
0.77198925 0.26519552 0.45362914
0.93112315 0.23818613 0.39144741
0.74305648 0.09291946 0.39144741
0.90365732 0.06411052 0.45390846
0.76445648 0.25958613 0.33205637
0.93893867 0.23039420 0.51432502
0.73686369 0.09867937 0.51448442
0.90972315 0.07151946 0.33205637
0.76445648 0.25958613 0.21327428
0.93355310 0.23554951 0.63903009
0.74199089 0.09364918 0.63850142
0.90972315 0.07151946 0.21327428
0.77380886 0.59760836 0.57530766
0.93112315 0.57151946 0.27266532
0.74305648 0.42625279 0.27266532
0.90565805 0.39707851 0.57339223
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0.93112315 0.57151946 0.39144741
0.74305648 0.42625279 0.39144741
0.90406069 0.39744428 0.45360927
0.76445648 0.59291946 0.33205637
0.93894256 0.56419985 0.51374874
0.73795079 0.43194631 0.51324262
0.90972315 0.40485279 0.33205637
0.76445648 0.59291946 0.21327428
0.93723176 0.56657760 0.63535962
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0.90972315 0.40485279 0.21327428
0.77070868 0.93219134 0.57356298
0.93112315 0.90485279 0.27266532
0.74305648 0.75958613 0.27266532
0.90456580 0.73228815 0.57622788
0.77115385 0.93197703 0.45377547
0.93112315 0.90485279 0.39144741
0.74305648 0.75958613 0.39144741
0.90293984 0.73109850 0.45427307
0.76445648 0.92625279 0.33205637
0.93841466 0.89670557 0.51484851
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0.90972315 0.73818613 0.33205637
0.76445648 0.92625279 0.21327428
0.93337759 0.90432919 0.63869514
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0.90972315 0.73818613 0.21327428
0.51384587 0.67553250 0.70599648
0.46473749 0.66705081 0.80756513
0.40063341 0.55340831 0.79596745
0.51094418 0.67344827 0.87099693
0.39955338 0.77617726 0.79620214
0.37698629 0.54855701 0.75749731
0.44170082 0.48948832 0.80247210
0.34283066 0.55117149 0.82064463
0.55338329 0.61250170 0.87661805
0.54939664 0.73989514 0.87798852
0.45873175 0.67249065 0.89810206
0.33748432 0.77653540 0.81877635
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0.38047822 0.77808111 0.75602063
0.63534951 0.70095445 0.70015156
0.71674686 0.64785365 0.77719446