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
0.00540163 0.16591330 0.58909345 T T T # 1 Ti1
0.17165360 0.33288778 0.27132103 F F F # 2 Ti2
0.00747797 0.16362266 0.45856724 T T T # 3 Ti3
0.17165360 0.33288778 0.39010312 F F F # 4 Ti4
0.00498693 0.16622111 0.33071208 F F F # 5 Ti5
0.17500537 0.33137965 0.50587892 T T T # 6 Ti6
0.00498693 0.16622111 0.21192999 F F F # 7 Ti7
0.17335955 0.33281351 0.62171642 T T T # 8 Ti8
0.00713511 0.49719263 0.58770627 T T T # 9 Ti9
0.17165360 0.66622111 0.27132103 F F F # 10 Ti10
0.00739412 0.49750291 0.45835903 T T T # 11 Ti11
0.17165360 0.66622111 0.39010312 F F F # 12 Ti12
0.00498693 0.49955445 0.33071208 F F F # 13 Ti13
0.17460242 0.66316640 0.50594634 T T T # 14 Ti14
0.00498693 0.49955445 0.21192999 F F F # 15 Ti15
0.17182903 0.66607308 0.62183262 T T T # 16 Ti16
0.00493218 0.83241090 0.58855273 T T T # 17 Ti17
0.17165360 0.99955445 0.27132103 F F F # 18 Ti18
0.00716490 0.82999282 0.45873892 T T T # 19 Ti19
0.17165360 0.99955445 0.39010312 F F F # 20 Ti20
0.00498693 0.83288778 0.33071208 F F F # 21 Ti21
0.17324400 0.99768603 0.50564798 T T T # 22 Ti22
0.00498693 0.83288778 0.21192999 F F F # 23 Ti23
0.17149452 0.99941975 0.62180521 T T T # 24 Ti24
0.33853007 0.16573503 0.58828775 T T T # 25 Ti25
0.50498693 0.33288778 0.27132103 F F F # 26 Ti26
0.34036288 0.16449282 0.45839729 T T T # 27 Ti27
0.50498693 0.33288778 0.39010312 F F F # 28 Ti28
0.33832026 0.16622111 0.33071208 F F F # 29 Ti29
0.50770282 0.33022049 0.50592370 T T T # 30 Ti30
0.33832026 0.16622111 0.21192999 F F F # 31 Ti31
0.50580584 0.33240038 0.62182827 T T T # 32 Ti32
0.34189129 0.50225837 0.58960178 T T T # 33 Ti33
0.50498693 0.66622111 0.27132103 F F F # 34 Ti34
0.34243964 0.49811380 0.45907729 T T T # 35 Ti35
0.50498693 0.66622111 0.39010312 F F F # 36 Ti36
0.33832026 0.49955445 0.33071208 F F F # 37 Ti37
0.50740830 0.66315524 0.50979963 T T T # 38 Ti38
0.33832026 0.49955445 0.21192999 F F F # 39 Ti39
0.50497871 0.66756864 0.63137093 T T T # 40 Ti40
0.33481111 0.83595918 0.58545163 T T T # 41 Ti41
0.50498693 0.99955445 0.27132103 F F F # 42 Ti42
0.34132579 0.82976070 0.45799678 T T T # 43 Ti43
0.50498693 0.99955445 0.39010312 F F F # 44 Ti44
0.33832026 0.83288778 0.33071208 F F F # 45 Ti45
0.50695512 0.99773782 0.50586582 T T T # 46 Ti46
0.33832026 0.83288778 0.21192999 F F F # 47 Ti47
0.50457214 0.99940210 0.62183795 T T T # 48 Ti48
0.67236987 0.16553976 0.58842203 T T T # 49 Ti49
0.83832026 0.33288778 0.27132103 F F F # 50 Ti50
0.67439045 0.16338882 0.45864204 T T T # 51 Ti51
0.83832026 0.33288778 0.39010312 F F F # 52 Ti52
0.67165360 0.16622111 0.33071208 F F F # 53 Ti53
0.84166645 0.32960609 0.50571274 T T T # 54 Ti54
0.67165360 0.16622111 0.21192999 F F F # 55 Ti55
0.83879394 0.33231334 0.62187009 T T T # 56 Ti56
0.67547155 0.49661612 0.58583542 T T T # 57 Ti57
0.83832026 0.66622111 0.27132103 F F F # 58 Ti58
0.67405446 0.49758003 0.45796082 T T T # 59 Ti59
0.83832026 0.66622111 0.39010312 F F F # 60 Ti60
0.67165360 0.49955445 0.33071208 F F F # 61 Ti61
0.84102107 0.66379970 0.50657503 T T T # 62 Ti62
0.67165360 0.49955445 0.21192999 F F F # 63 Ti63
0.84042344 0.66391519 0.62336290 T T T # 64 Ti64
0.66729079 0.83161312 0.58770803 T T T # 65 Ti65
0.83832026 0.99955445 0.27132103 F F F # 66 Ti66
0.67317150 0.82843410 0.45862595 T T T # 67 Ti67
0.83832026 0.99955445 0.39010312 F F F # 68 Ti68
0.67165360 0.83288778 0.33071208 F F F # 69 Ti69
0.84017528 0.99593651 0.50591272 T T T # 70 Ti70
0.67165360 0.83288778 0.21192999 F F F # 71 Ti71
0.83815662 0.99854226 0.62172677 T T T # 72 Ti72
0.10564607 0.26508665 0.57305685 T T T # 73 O1
0.26568693 0.23885445 0.27132103 F F F # 74 O2
0.07762026 0.09358778 0.27132103 F F F # 75 O3
0.23905879 0.06634353 0.57246892 T T T # 76 O4
0.10647653 0.26643548 0.45270700 T T T # 77 O5
0.26568693 0.23885445 0.39010312 F F F # 78 O6
0.07762026 0.09358778 0.39010312 F F F # 79 O7
0.23782684 0.06546662 0.45234451 T T T # 80 O8
0.09902026 0.26025445 0.33071208 F F F # 81 O9
0.27369201 0.23138242 0.51328234 T T T # 82 O10
0.07166997 0.09957918 0.51306468 T T T # 83 O11
0.24428693 0.07218778 0.33071208 F F F # 84 O12
0.09902026 0.26025445 0.21192999 F F F # 85 O13
0.26766046 0.23627500 0.63718744 T T T # 86 O14
0.07642754 0.09487559 0.63782304 T T T # 87 O15
0.24428693 0.07218778 0.21192999 F F F # 88 O16
0.10557096 0.59801037 0.57269638 T T T # 89 O17
0.26568693 0.57218778 0.27132103 F F F # 90 O18
0.07762026 0.42692111 0.27132103 F F F # 91 O19
0.23986293 0.39943117 0.57275573 T T T # 92 O20
0.10626064 0.59937620 0.45228916 T T T # 93 O21
0.26568693 0.57218778 0.39010312 F F F # 94 O22
0.07762026 0.42692111 0.39010312 F F F # 95 O23
0.23854580 0.39866512 0.45246272 T T T # 96 O24
0.09902026 0.59358778 0.33071208 F F F # 97 O25
0.27374342 0.56481356 0.51347520 T T T # 98 O26
0.07191320 0.43307099 0.51316749 T T T # 99 O27
0.24428693 0.40552111 0.33071208 F F F # 100 O28
0.09902026 0.59358778 0.21192999 F F F # 101 O29
0.26598175 0.57095240 0.63789688 T T T # 102 O30
0.07740526 0.42679558 0.63728828 T T T # 103 O31
0.24428693 0.40552111 0.21192999 F F F # 104 O32
0.10473926 0.93216242 0.57242103 T T T # 105 O33
0.26568693 0.90552111 0.27132103 F F F # 106 O34
0.07762026 0.76025445 0.27132103 F F F # 107 O35
0.23610571 0.73339619 0.57178406 T T T # 108 O36
0.10572649 0.93332399 0.45235268 T T T # 109 O37
0.26568693 0.90552111 0.39010312 F F F # 110 O38
0.07762026 0.76025445 0.39010312 F F F # 111 O39
0.23814278 0.73157189 0.45240463 T T T # 112 O40
0.09902026 0.92692111 0.33071208 F F F # 113 O41
0.27276297 0.89836361 0.51200499 T T T # 114 O42
0.07107942 0.76570743 0.51283532 T T T # 115 O43
0.24428693 0.73885445 0.33071208 F F F # 116 O44
0.09902026 0.92692111 0.21192999 F F F # 117 O45
0.26477317 0.90613509 0.63753112 T T T # 118 O46
0.07662568 0.76112080 0.63729924 T T T # 119 O47
0.24428693 0.73885445 0.21192999 F F F # 120 O48
0.43840322 0.26468185 0.57290610 T T T # 121 O49
0.59902026 0.23885445 0.27132103 F F F # 122 O50
0.41095360 0.09358778 0.27132103 F F F # 123 O51
0.57251925 0.06631275 0.57289227 T T T # 124 O52
0.43926560 0.26631835 0.45231275 T T T # 125 O53
0.59902026 0.23885445 0.39010312 F F F # 126 O54
0.41095360 0.09358778 0.39010312 F F F # 127 O55
0.57175953 0.06485597 0.45234120 T T T # 128 O56
0.43235360 0.26025445 0.33071208 F F F # 129 O57
0.60655810 0.23056623 0.51286072 T T T # 130 O58
0.40510171 0.10007214 0.51278071 T T T # 131 O59
0.57762026 0.07218778 0.33071208 F F F # 132 O60
0.43235360 0.26025445 0.21192999 F F F # 133 O61
0.60083195 0.23622444 0.63718611 T T T # 134 O62
0.40976505 0.09460743 0.63734016 T T T # 135 O63
0.57762026 0.07218778 0.21192999 F F F # 136 O64
0.43796485 0.59780502 0.57658929 T T T # 137 O65
0.59902026 0.57218778 0.27132103 F F F # 138 O66
0.41095360 0.42692111 0.27132103 F F F # 139 O67
0.57343189 0.39618626 0.57187141 T T T # 140 O68
0.44027857 0.60026298 0.45399441 T T T # 141 O69
0.59902026 0.57218778 0.39010312 F F F # 142 O70
0.41095360 0.42692111 0.39010312 F F F # 143 O71
0.57149449 0.39829142 0.45244595 T T T # 144 O72
0.43235360 0.59358778 0.33071208 F F F # 145 O73
0.60720322 0.56410810 0.51318585 T T T # 146 O74
0.40565993 0.43296177 0.51335115 T T T # 147 O75
0.57762026 0.40552111 0.33071208 F F F # 148 O76
0.43235360 0.59358778 0.21192999 F F F # 149 O77
0.60531631 0.56594137 0.63035333 T T T # 150 O78
0.41047383 0.42580394 0.63788862 T T T # 151 O79
0.57762026 0.40552111 0.21192999 F F F # 152 O80
0.43757402 0.93481704 0.57186921 T T T # 153 O81
0.59902026 0.90552111 0.27132103 F F F # 154 O82
0.41095360 0.76025445 0.27132103 F F F # 155 O83
0.57317135 0.73332268 0.57628839 T T T # 156 O84
0.43967609 0.93307654 0.45247246 T T T # 157 O85
0.59902026 0.90552111 0.39010312 F F F # 158 O86
0.41095360 0.76025445 0.39010312 F F F # 159 O87
0.57089744 0.73100655 0.45408606 T T T # 160 O88
0.43235360 0.92692111 0.33071208 F F F # 161 O89
0.60652756 0.89754788 0.51363365 T T T # 162 O90
0.40449313 0.76656483 0.51295707 T T T # 163 O91
0.57762026 0.73885445 0.33071208 F F F # 164 O92
0.43235360 0.92692111 0.21192999 F F F # 165 O93
0.60021893 0.90535615 0.63723770 T T T # 166 O94
0.40468849 0.76516021 0.63039548 T T T # 167 O95
0.57762026 0.73885445 0.21192999 F F F # 168 O96
0.77201146 0.26464864 0.57248413 T T T # 169 O97
0.93235360 0.23885445 0.27132103 F F F # 170 O98
0.74428693 0.09358778 0.27132103 F F F # 171 O99
0.90607337 0.06600860 0.57308929 T T T # 172 O100
0.77335808 0.26572899 0.45233440 T T T # 173 O101
0.93235360 0.23885445 0.39010312 F F F # 174 O102
0.74428693 0.09358778 0.39010312 F F F # 175 O103
0.90486304 0.06477595 0.45267560 T T T # 176 O104
0.76568693 0.26025445 0.33071208 F F F # 177 O105
0.94031894 0.23091615 0.51322209 T T T # 178 O106
0.73812256 0.09926359 0.51324663 T T T # 179 O107
0.91095360 0.07218778 0.33071208 F F F # 180 O108
0.76568693 0.26025445 0.21192999 F F F # 181 O109
0.93470295 0.23640187 0.63771290 T T T # 182 O110
0.74353955 0.09435937 0.63724311 T T T # 183 O111
0.91095360 0.07218778 0.21192999 F F F # 184 O112
0.77530614 0.59790274 0.57263603 T T T # 185 O113
0.93235360 0.57218778 0.27132103 F F F # 186 O114
0.74428693 0.42692111 0.27132103 F F F # 187 O115
0.90658010 0.39857893 0.57231083 T T T # 188 O116
0.77304537 0.60001848 0.45271119 T T T # 189 O117
0.93235360 0.57218778 0.39010312 F F F # 190 O118
0.74428693 0.42692111 0.39010312 F F F # 191 O119
0.90546038 0.39791930 0.45232378 T T T # 192 O120
0.76568693 0.59358778 0.33071208 F F F # 193 O121
0.94058376 0.56466753 0.51268634 T T T # 194 O122
0.73918197 0.43224649 0.51170015 T T T # 195 O123
0.91095360 0.40552111 0.33071208 F F F # 196 O124
0.76568693 0.59358778 0.21192999 F F F # 197 O125
0.93638304 0.56902705 0.63592139 T T T # 198 O126
0.74621384 0.42489118 0.63776749 T T T # 199 O127
0.91095360 0.40552111 0.21192999 F F F # 200 O128
0.77189231 0.93208508 0.57261529 T T T # 201 O129
0.93235360 0.90552111 0.27132103 F F F # 202 O130
0.74428693 0.76025445 0.27132103 F F F # 203 O131
0.90623496 0.73287276 0.57370047 T T T # 204 O132
0.77251928 0.93267798 0.45248591 T T T # 205 O133
0.93235360 0.90552111 0.39010312 F F F # 206 O134
0.74428693 0.76025445 0.39010312 F F F # 207 O135
0.90466672 0.73185079 0.45254009 T T T # 208 O136
0.76568693 0.92692111 0.33071208 F F F # 209 O137
0.93981817 0.89747153 0.51342596 T T T # 210 O138
0.73810391 0.76585288 0.51326107 T T T # 211 O139
0.91095360 0.73885445 0.33071208 F F F # 212 O140
0.76568693 0.92692111 0.21192999 F F F # 213 O141
0.93466925 0.90433519 0.63722587 T T T # 214 O142
0.74450047 0.76194833 0.63710366 T T T # 215 O143
0.91095360 0.73885445 0.21192999 F F F # 216 O144
0.50806016 0.66758675 0.70525444 T T T # 217 O885
0.45920628 0.65876795 0.83090608 T T T # 218 Si
0.39508689 0.54863932 0.80927005 T T T # 219 C1
0.47339872 0.66393656 0.90165930 T T T # 220 C2
0.40780400 0.77187344 0.80782140 T T T # 221 C3
0.38926374 0.54617851 0.76730611 T T T # 222 H1
0.42975126 0.48249901 0.82147812 T T T # 223 H2
0.32558358 0.54916902 0.82547766 T T T # 224 H3
0.50816665 0.59990493 0.91486336 T T T # 225 H4
0.51320783 0.72778002 0.91395791 T T T # 226 H5
0.40705212 0.66803521 0.92032634 T T T # 227 H6
0.33699185 0.77934203 0.82287204 T T T # 228 H7
0.44882917 0.83530806 0.82107327 T T T # 229 H8
0.40466412 0.77061760 0.76523957 T T T # 230 H9
0.58796331 0.65945947 0.71513170 T T T # 231 H111
0.64877560 0.64046501 0.80782985 T T T # 232 Cl