No title
1.0
13.83534000 0.00000000 0.00000000
0.00000000 13.83534000 0.00000000
0.00000000 0.00000000 24.76796000
Ti O Si C H Cl
72 145 1 3 10 1
Selective dynamics
Direct
0.00483810 0.16532034 0.58999116 T T T # 1 Ti1
0.17083330 0.33244224 0.27221722 F F F # 2 Ti2
0.00637112 0.16328833 0.45945020 T T T # 3 Ti3
0.17083330 0.33244224 0.39099931 F F F # 4 Ti4
0.00416663 0.16577557 0.33160827 F F F # 5 Ti5
0.17367533 0.33124610 0.50675414 T T T # 6 Ti6
0.00416663 0.16577557 0.21282618 F F F # 7 Ti7
0.17300824 0.33223796 0.62254069 T T T # 8 Ti8
0.00773450 0.49528548 0.58788669 T T T # 9 Ti9
0.17083330 0.66577557 0.27221722 F F F # 10 Ti10
0.00579848 0.49786756 0.45901216 T T T # 11 Ti11
0.17083330 0.66577557 0.39099931 F F F # 12 Ti12
0.00416663 0.49910891 0.33160827 F F F # 13 Ti13
0.17372722 0.66279043 0.50683404 T T T # 14 Ti14
0.00416663 0.49910891 0.21282618 F F F # 15 Ti15
0.17090222 0.66551463 0.62263920 T T T # 16 Ti16
0.00359962 0.83168014 0.58964740 T T T # 17 Ti17
0.17083330 0.99910891 0.27221722 F F F # 18 Ti18
0.00609421 0.82934388 0.45969459 T T T # 19 Ti19
0.17083330 0.99910891 0.39099931 F F F # 20 Ti20
0.00416663 0.83244224 0.33160827 F F F # 21 Ti21
0.17203199 0.99727167 0.50655537 T T T # 22 Ti22
0.00416663 0.83244224 0.21282618 F F F # 23 Ti23
0.17071106 0.99868538 0.62266444 T T T # 24 Ti24
0.33753476 0.16541806 0.58912369 T T T # 25 Ti25
0.50416663 0.33244224 0.27221722 F F F # 26 Ti26
0.33871408 0.16479589 0.45904728 T T T # 27 Ti27
0.50416663 0.33244224 0.39099931 F F F # 28 Ti28
0.33749996 0.16577557 0.33160827 F F F # 29 Ti29
0.50698976 0.32984346 0.50679236 T T T # 30 Ti30
0.33749996 0.16577557 0.21282618 F F F # 31 Ti31
0.50502408 0.33216280 0.62260529 T T T # 32 Ti32
0.34129904 0.50218367 0.59028288 T T T # 33 Ti33
0.50416663 0.66577557 0.27221722 F F F # 34 Ti34
0.34150198 0.49755092 0.45989384 T T T # 35 Ti35
0.50416663 0.66577557 0.39099931 F F F # 36 Ti36
0.33749996 0.49910891 0.33160827 F F F # 37 Ti37
0.50577583 0.66242402 0.51078327 T T T # 38 Ti38
0.33749996 0.49910891 0.21282618 F F F # 39 Ti39
0.50538731 0.66746092 0.63233245 T T T # 40 Ti40
0.33390008 0.83523361 0.58631533 T T T # 41 Ti41
0.50416663 0.99910891 0.27221722 F F F # 42 Ti42
0.34017568 0.82953394 0.45884314 T T T # 43 Ti43
0.50416663 0.99910891 0.39099931 F F F # 44 Ti44
0.33749996 0.83244224 0.33160827 F F F # 45 Ti45
0.50490633 0.99857274 0.50669230 T T T # 46 Ti46
0.33749996 0.83244224 0.21282618 F F F # 47 Ti47
0.50324618 0.99943507 0.62266394 T T T # 48 Ti48
0.67144940 0.16525808 0.58927781 T T T # 49 Ti49
0.83749996 0.33244224 0.27221722 F F F # 50 Ti50
0.67366322 0.16298465 0.45951223 T T T # 51 Ti51
0.83749996 0.33244224 0.39099931 F F F # 52 Ti52
0.67083330 0.16577557 0.33160827 F F F # 53 Ti53
0.84066121 0.32936970 0.50661155 T T T # 54 Ti54
0.67083330 0.16577557 0.21282618 F F F # 55 Ti55
0.83818590 0.33169474 0.62274357 T T T # 56 Ti56
0.67510340 0.49629416 0.58681437 T T T # 57 Ti57
0.83749996 0.66577557 0.27221722 F F F # 58 Ti58
0.67314831 0.49758215 0.45893771 T T T # 59 Ti59
0.83749996 0.66577557 0.39099931 F F F # 60 Ti60
0.67083330 0.49910891 0.33160827 F F F # 61 Ti61
0.83967427 0.66376838 0.50812255 T T T # 62 Ti62
0.67083330 0.49910891 0.21282618 F F F # 63 Ti63
0.84106833 0.66201363 0.62578548 T T T # 64 Ti64
0.66451275 0.83348981 0.58692655 T T T # 65 Ti65
0.83749996 0.99910891 0.27221722 F F F # 66 Ti66
0.67208381 0.82770188 0.45906707 T T T # 67 Ti67
0.83749996 0.99910891 0.39099931 F F F # 68 Ti68
0.67083330 0.83244224 0.33160827 F F F # 69 Ti69
0.83934867 0.99540039 0.50676556 T T T # 70 Ti70
0.67083330 0.83244224 0.21282618 F F F # 71 Ti71
0.83735165 0.99831040 0.62254364 T T T # 72 Ti72
0.10500497 0.26461540 0.57387417 T T T # 73 O1
0.26486663 0.23840891 0.27221722 F F F # 74 O2
0.07679996 0.09314224 0.27221722 F F F # 75 O3
0.23830682 0.06584453 0.57337085 T T T # 76 O4
0.10565034 0.26600262 0.45355131 T T T # 77 O5
0.26486663 0.23840891 0.39099931 F F F # 78 O6
0.07679996 0.09314224 0.39099931 F F F # 79 O7
0.23687198 0.06512490 0.45323518 T T T # 80 O8
0.09819996 0.25980891 0.33160827 F F F # 81 O9
0.27275202 0.23099416 0.51413827 T T T # 82 O10
0.07075306 0.09921935 0.51398905 T T T # 83 O11
0.24346663 0.07174224 0.33160827 F F F # 84 O12
0.09819996 0.25980891 0.21282618 F F F # 85 O13
0.26712746 0.23572686 0.63817303 T T T # 86 O14
0.07575684 0.09444328 0.63869146 T T T # 87 O15
0.24346663 0.07174224 0.21282618 F F F # 88 O16
0.10526300 0.59724886 0.57333530 T T T # 89 O17
0.26486663 0.57174224 0.27221722 F F F # 90 O18
0.07679996 0.42647557 0.27221722 F F F # 91 O19
0.23917211 0.39902895 0.57351911 T T T # 92 O20
0.10533968 0.59893693 0.45312347 T T T # 93 O21
0.26486663 0.57174224 0.39099931 F F F # 94 O22
0.07679996 0.42647557 0.39099931 F F F # 95 O23
0.23766512 0.39817398 0.45332750 T T T # 96 O24
0.09819996 0.59314224 0.33160827 F F F # 97 O25
0.27300200 0.56442312 0.51424785 T T T # 98 O26
0.07093231 0.43270252 0.51392200 T T T # 99 O27
0.24346663 0.40507557 0.33160827 F F F # 100 O28
0.09819996 0.59314224 0.21282618 F F F # 101 O29
0.26542242 0.57076728 0.63871655 T T T # 102 O30
0.07719073 0.42575935 0.63824435 T T T # 103 O31
0.24346663 0.40507557 0.21282618 F F F # 104 O32
0.10390873 0.93161228 0.57326940 T T T # 105 O33
0.26486663 0.90507557 0.27221722 F F F # 106 O34
0.07679996 0.75980891 0.27221722 F F F # 107 O35
0.23495457 0.73302883 0.57252602 T T T # 108 O36
0.10477342 0.93285061 0.45322577 T T T # 109 O37
0.26486663 0.90507557 0.39099931 F F F # 110 O38
0.07679996 0.75980891 0.39099931 F F F # 111 O39
0.23726295 0.73117002 0.45323521 T T T # 112 O40
0.09819996 0.92647557 0.33160827 F F F # 113 O41
0.27179960 0.89799640 0.51277088 T T T # 114 O42
0.07003543 0.76505238 0.51371611 T T T # 115 O43
0.24346663 0.73840891 0.33160827 F F F # 116 O44
0.09819996 0.92647557 0.21282618 F F F # 117 O45
0.26396884 0.90559421 0.63848625 T T T # 118 O46
0.07585660 0.76054660 0.63819836 T T T # 119 O47
0.24346663 0.73840891 0.21282618 F F F # 120 O48
0.43750565 0.26426188 0.57376993 T T T # 121 O49
0.59819996 0.23840891 0.27221722 F F F # 122 O50
0.41013330 0.09314224 0.27221722 F F F # 123 O51
0.57132166 0.06615961 0.57370261 T T T # 124 O52
0.43831367 0.26591206 0.45316686 T T T # 125 O53
0.59819996 0.23840891 0.39099931 F F F # 126 O54
0.41013330 0.09314224 0.39099931 F F F # 127 O55
0.57088072 0.06440112 0.45322660 T T T # 128 O56
0.43153330 0.25980891 0.33160827 F F F # 129 O57
0.60570618 0.23009011 0.51371309 T T T # 130 O58
0.40408711 0.09980401 0.51356129 T T T # 131 O59
0.57679996 0.07174224 0.33160827 F F F # 132 O60
0.43153330 0.25980891 0.21282618 F F F # 133 O61
0.59994699 0.23585208 0.63804583 T T T # 134 O62
0.40877614 0.09435039 0.63829817 T T T # 135 O63
0.57679996 0.07174224 0.21282618 F F F # 136 O64
0.43726034 0.59770445 0.57726301 T T T # 137 O65
0.59819996 0.57174224 0.27221722 F F F # 138 O66
0.41013330 0.42647557 0.27221722 F F F # 139 O67
0.57269732 0.39559854 0.57258186 T T T # 140 O68
0.43936680 0.59977650 0.45476570 T T T # 141 O69
0.59819996 0.57174224 0.39099931 F F F # 142 O70
0.41013330 0.42647557 0.39099931 F F F # 143 O71
0.57071812 0.39788780 0.45331932 T T T # 144 O72
0.43153330 0.59314224 0.33160827 F F F # 145 O73
0.60633873 0.56389834 0.51403122 T T T # 146 O74
0.40485820 0.43259120 0.51417114 T T T # 147 O75
0.57679996 0.40507557 0.33160827 F F F # 148 O76
0.43153330 0.59314224 0.21282618 F F F # 149 O77
0.60330250 0.56461448 0.63119022 T T T # 150 O78
0.40974051 0.42566962 0.63859140 T T T # 151 O79
0.57679996 0.40507557 0.21282618 F F F # 152 O80
0.43650399 0.93452938 0.57275959 T T T # 153 O81
0.59819996 0.90507557 0.27221722 F F F # 154 O82
0.41013330 0.75980891 0.27221722 F F F # 155 O83
0.57198949 0.73315865 0.57703237 T T T # 156 O84
0.43882719 0.93273109 0.45335979 T T T # 157 O85
0.59819996 0.90507557 0.39099931 F F F # 158 O86
0.41013330 0.75980891 0.39099931 F F F # 159 O87
0.56997934 0.73067956 0.45496694 T T T # 160 O88
0.43153330 0.92647557 0.33160827 F F F # 161 O89
0.60570668 0.89713740 0.51463771 T T T # 162 O90
0.40356039 0.76619339 0.51377253 T T T # 163 O91
0.57679996 0.73840891 0.33160827 F F F # 164 O92
0.43153330 0.92647557 0.21282618 F F F # 165 O93
0.59918103 0.90520203 0.63773098 T T T # 166 O94
0.40319422 0.76395604 0.63105772 T T T # 167 O95
0.57679996 0.73840891 0.21282618 F F F # 168 O96
0.77119029 0.26414084 0.57336413 T T T # 169 O97
0.93153330 0.23840891 0.27221722 F F F # 170 O98
0.74346663 0.09314224 0.27221722 F F F # 171 O99
0.90530580 0.06575638 0.57392884 T T T # 172 O100
0.77244553 0.26537334 0.45319756 T T T # 173 O101
0.93153330 0.23840891 0.39099931 F F F # 174 O102
0.74346663 0.09314224 0.39099931 F F F # 175 O103
0.90405922 0.06433233 0.45349751 T T T # 176 O104
0.76486663 0.25980891 0.33160827 F F F # 177 O105
0.93939876 0.23056819 0.51395738 T T T # 178 O106
0.73728331 0.09887411 0.51407182 T T T # 179 O107
0.91013330 0.07174224 0.33160827 F F F # 180 O108
0.76486663 0.25980891 0.21282618 F F F # 181 O109
0.93393638 0.23583363 0.63859103 T T T # 182 O110
0.74250711 0.09388591 0.63808198 T T T # 183 O111
0.91013330 0.07174224 0.21282618 F F F # 184 O112
0.77430795 0.59770649 0.57441712 T T T # 185 O113
0.93153330 0.57174224 0.27221722 F F F # 186 O114
0.74346663 0.42647557 0.27221722 F F F # 187 O115
0.90596540 0.39757865 0.57303176 T T T # 188 O116
0.77220484 0.59983537 0.45383725 T T T # 189 O117
0.93153330 0.57174224 0.39099931 F F F # 190 O118
0.74346663 0.42647557 0.39099931 F F F # 191 O119
0.90452725 0.39760262 0.45318077 T T T # 192 O120
0.76486663 0.59314224 0.33160827 F F F # 193 O121
0.93948963 0.56435575 0.51339460 T T T # 194 O122
0.73836118 0.43204637 0.51272847 T T T # 195 O123
0.91013330 0.40507557 0.33160827 F F F # 196 O124
0.76486663 0.59314224 0.21282618 F F F # 197 O125
0.93694886 0.56739408 0.63554688 T T T # 198 O126
0.74543223 0.42423875 0.63859475 T T T # 199 O127
0.91013330 0.40507557 0.21282618 F F F # 200 O128
0.77110323 0.93215592 0.57324708 T T T # 201 O129
0.93153330 0.90507557 0.27221722 F F F # 202 O130
0.74346663 0.75980891 0.27221722 F F F # 203 O131
0.90512219 0.73248302 0.57538541 T T T # 204 O132
0.77160899 0.93221068 0.45334562 T T T # 205 O133
0.93153330 0.90507557 0.39099931 F F F # 206 O134
0.74346663 0.75980891 0.39099931 F F F # 207 O135
0.90351547 0.73134926 0.45369541 T T T # 208 O136
0.76486663 0.92647557 0.33160827 F F F # 209 O137
0.93888250 0.89696089 0.51437433 T T T # 210 O138
0.73694169 0.76566323 0.51406642 T T T # 211 O139
0.91013330 0.73840891 0.33160827 F F F # 212 O140
0.76486663 0.92647557 0.21282618 F F F # 213 O141
0.93380814 0.90433119 0.63820539 T T T # 214 O142
0.74287655 0.76306264 0.63734417 T T T # 215 O143
0.91013330 0.73840891 0.21282618 F F F # 216 O144
0.51191730 0.67288392 0.70574913 T T T # 217 O885
0.46289375 0.66428985 0.81534545 T T T # 218 Si
0.39878457 0.55181865 0.80040165 T T T # 219 C1
0.49842903 0.67027770 0.88121772 T T T # 220 C2
0.40230359 0.77474265 0.80007523 T T T # 221 C3
0.38107878 0.54776417 0.76076691 T T T # 222 H1
0.43771763 0.48715855 0.80880744 T T T # 223 H2
0.33708163 0.55050400 0.82225564 T T T # 224 H3
0.53831108 0.60830278 0.88936649 T T T # 225 H4
0.53733370 0.73585677 0.88997831 T T T # 226 H5
0.44150520 0.67100550 0.90551015 T T T # 227 H6
0.33732016 0.77747094 0.82014158 T T T # 228 H7
0.44251439 0.83962770 0.81147648 T T T # 229 H8
0.38854019 0.77559328 0.75909361 T T T # 230 H9
0.61955411 0.68712279 0.70514494 T T T # 231 H111
0.69408977 0.64539077 0.78740626 T T T # 232 Cl