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
0.00568340 0.16620978 0.58864460 T T T # 1 Ti1
0.17206375 0.33311056 0.27087293 F F F # 2 Ti2
0.00803139 0.16378982 0.45812577 T T T # 3 Ti3
0.17206375 0.33311056 0.38965502 F F F # 4 Ti4
0.00539708 0.16644389 0.33026398 F F F # 5 Ti5
0.17567040 0.33144643 0.50544131 T T T # 6 Ti6
0.00539708 0.16644389 0.21148189 F F F # 7 Ti7
0.17353520 0.33310128 0.62130429 T T T # 8 Ti8
0.00683542 0.49814620 0.58761606 T T T # 9 Ti9
0.17206375 0.66644389 0.27087293 F F F # 10 Ti10
0.00819194 0.49732059 0.45803246 T T T # 11 Ti11
0.17206375 0.66644389 0.38965502 F F F # 12 Ti12
0.00539708 0.49977723 0.33026398 F F F # 13 Ti13
0.17504002 0.66335438 0.50550249 T T T # 14 Ti14
0.00539708 0.49977723 0.21148189 F F F # 15 Ti15
0.17229244 0.66635231 0.62142932 T T T # 16 Ti16
0.00559846 0.83277627 0.58800540 T T T # 17 Ti17
0.17206375 0.99977723 0.27087293 F F F # 18 Ti18
0.00770025 0.83031729 0.45826109 T T T # 19 Ti19
0.17206375 0.99977723 0.38965502 F F F # 20 Ti20
0.00539708 0.83311056 0.33026398 F F F # 21 Ti21
0.17385001 0.99789321 0.50519428 T T T # 22 Ti22
0.00539708 0.83311056 0.21148189 F F F # 23 Ti23
0.17188625 0.99978693 0.62137559 T T T # 24 Ti24
0.33902773 0.16589352 0.58786978 T T T # 25 Ti25
0.50539708 0.33311056 0.27087293 F F F # 26 Ti26
0.34118728 0.16434129 0.45807230 T T T # 27 Ti27
0.50539708 0.33311056 0.38965502 F F F # 28 Ti28
0.33873041 0.16644389 0.33026398 F F F # 29 Ti29
0.50805934 0.33040901 0.50548937 T T T # 30 Ti30
0.33873041 0.16644389 0.21148189 F F F # 31 Ti31
0.50619673 0.33251917 0.62143975 T T T # 32 Ti32
0.34218741 0.50229572 0.58926123 T T T # 33 Ti33
0.50539708 0.66644389 0.27087293 F F F # 34 Ti34
0.34290846 0.49839523 0.45866902 T T T # 35 Ti35
0.50539708 0.66644389 0.38965502 F F F # 36 Ti36
0.33873041 0.49977723 0.33026398 F F F # 37 Ti37
0.50822454 0.66352085 0.50930781 T T T # 38 Ti38
0.33873041 0.49977723 0.21148189 F F F # 39 Ti39
0.50477440 0.66762250 0.63089018 T T T # 40 Ti40
0.33526662 0.83632196 0.58501978 T T T # 41 Ti41
0.50539708 0.99977723 0.27087293 F F F # 42 Ti42
0.34190084 0.82987408 0.45757360 T T T # 43 Ti43
0.50539708 0.99977723 0.38965502 F F F # 44 Ti44
0.33873041 0.83311056 0.33026398 F F F # 45 Ti45
0.50797951 0.99732036 0.50545259 T T T # 46 Ti46
0.33873041 0.83311056 0.21148189 F F F # 47 Ti47
0.50523511 0.99938562 0.62142496 T T T # 48 Ti48
0.67283010 0.16568060 0.58799414 T T T # 49 Ti49
0.83873041 0.33311056 0.27087293 F F F # 50 Ti50
0.67475407 0.16359090 0.45820695 T T T # 51 Ti51
0.83873041 0.33311056 0.38965502 F F F # 52 Ti52
0.67206375 0.16644389 0.33026398 F F F # 53 Ti53
0.84216906 0.32972428 0.50526333 T T T # 54 Ti54
0.67206375 0.16644389 0.21148189 F F F # 55 Ti55
0.83909796 0.33262264 0.62143336 T T T # 56 Ti56
0.67565562 0.49677709 0.58534594 T T T # 57 Ti57
0.83873041 0.66644389 0.27087293 F F F # 58 Ti58
0.67450753 0.49757897 0.45747238 T T T # 59 Ti59
0.83873041 0.66644389 0.38965502 F F F # 60 Ti60
0.67206375 0.49977723 0.33026398 F F F # 61 Ti61
0.84169447 0.66381536 0.50580127 T T T # 62 Ti62
0.67206375 0.49977723 0.21148189 F F F # 63 Ti63
0.84010099 0.66486597 0.62215161 T T T # 64 Ti64
0.66867980 0.83067478 0.58809878 T T T # 65 Ti65
0.83873041 0.99977723 0.27087293 F F F # 66 Ti66
0.67371534 0.82880021 0.45840539 T T T # 67 Ti67
0.83873041 0.99977723 0.38965502 F F F # 68 Ti68
0.67206375 0.83311056 0.33026398 F F F # 69 Ti69
0.84058858 0.99620457 0.50548630 T T T # 70 Ti70
0.67206375 0.83311056 0.21148189 F F F # 71 Ti71
0.83855910 0.99865819 0.62131833 T T T # 72 Ti72
0.10596662 0.26532227 0.57264820 T T T # 73 O1
0.26609708 0.23907723 0.27087293 F F F # 74 O2
0.07803041 0.09381056 0.27087293 F F F # 75 O3
0.23943477 0.06659303 0.57201796 T T T # 76 O4
0.10688963 0.26665191 0.45228484 T T T # 77 O5
0.26609708 0.23907723 0.38965502 F F F # 78 O6
0.07803041 0.09381056 0.38965502 F F F # 79 O7
0.23830427 0.06563748 0.45189917 T T T # 80 O8
0.09943041 0.26047723 0.33026398 F F F # 81 O9
0.27416201 0.23157655 0.51285438 T T T # 82 O10
0.07212843 0.09975910 0.51260249 T T T # 83 O11
0.24469708 0.07241056 0.33026398 F F F # 84 O12
0.09943041 0.26047723 0.21148189 F F F # 85 O13
0.26792696 0.23654908 0.63669464 T T T # 86 O14
0.07676289 0.09509175 0.63738883 T T T # 87 O15
0.24469708 0.07241056 0.21148189 F F F # 88 O16
0.10572494 0.59839112 0.57237692 T T T # 89 O17
0.26609708 0.57241056 0.27087293 F F F # 90 O18
0.07803041 0.42714389 0.27087293 F F F # 91 O19
0.24020834 0.39963228 0.57237404 T T T # 92 O20
0.10672112 0.59959584 0.45187200 T T T # 93 O21
0.26609708 0.57241056 0.38965502 F F F # 94 O22
0.07803041 0.42714389 0.38965502 F F F # 95 O23
0.23898614 0.39891068 0.45203033 T T T # 96 O24
0.09943041 0.59381056 0.33026398 F F F # 97 O25
0.27411413 0.56500878 0.51308888 T T T # 98 O26
0.07240364 0.43325522 0.51279023 T T T # 99 O27
0.24469708 0.40574389 0.33026398 F F F # 100 O28
0.09943041 0.59381056 0.21148189 F F F # 101 O29
0.26626142 0.57104497 0.63748705 T T T # 102 O30
0.07751252 0.42731369 0.63681025 T T T # 103 O31
0.24469708 0.40574389 0.21148189 F F F # 104 O32
0.10515453 0.93243749 0.57199684 T T T # 105 O33
0.26609708 0.90574389 0.27087293 F F F # 106 O34
0.07803041 0.76047723 0.27087293 F F F # 107 O35
0.23668128 0.73357988 0.57141308 T T T # 108 O36
0.10620303 0.93356068 0.45191614 T T T # 109 O37
0.26609708 0.90574389 0.38965502 F F F # 110 O38
0.07803041 0.76047723 0.38965502 F F F # 111 O39
0.23858270 0.73177282 0.45198935 T T T # 112 O40
0.09943041 0.92714389 0.33026398 F F F # 113 O41
0.27324466 0.89854721 0.51162205 T T T # 114 O42
0.07160142 0.76603495 0.51239492 T T T # 115 O43
0.24469708 0.73907723 0.33026398 F F F # 116 O44
0.09943041 0.92714389 0.21148189 F F F # 117 O45
0.26517534 0.90640553 0.63705355 T T T # 118 O46
0.07701022 0.76140790 0.63684968 T T T # 119 O47
0.24469708 0.73907723 0.21148189 F F F # 120 O48
0.43885201 0.26489183 0.57247419 T T T # 121 O49
0.59943041 0.23907723 0.27087293 F F F # 122 O50
0.41136375 0.09381056 0.27087293 F F F # 123 O51
0.57311804 0.06638932 0.57248710 T T T # 124 O52
0.43974156 0.26652149 0.45188570 T T T # 125 O53
0.59943041 0.23907723 0.38965502 F F F # 126 O54
0.41136375 0.09381056 0.38965502 F F F # 127 O55
0.57219894 0.06508340 0.45189850 T T T # 128 O56
0.43276375 0.26047723 0.33026398 F F F # 129 O57
0.60698406 0.23080430 0.51243454 T T T # 130 O58
0.40560901 0.10020620 0.51239042 T T T # 131 O59
0.57803041 0.07241056 0.33026398 F F F # 132 O60
0.43276375 0.26047723 0.21148189 F F F # 133 O61
0.60127443 0.23641062 0.63675625 T T T # 134 O62
0.41025951 0.09473595 0.63686115 T T T # 135 O63
0.57803041 0.07241056 0.21148189 F F F # 136 O64
0.43831710 0.59785530 0.57625243 T T T # 137 O65
0.59943041 0.57241056 0.27087293 F F F # 138 O66
0.41136375 0.42714389 0.27087293 F F F # 139 O67
0.57379917 0.39648012 0.57151619 T T T # 140 O68
0.44073446 0.60050622 0.45360877 T T T # 141 O69
0.59943041 0.57241056 0.38965502 F F F # 142 O70
0.41136375 0.42714389 0.38965502 F F F # 143 O71
0.57188267 0.39849323 0.45200926 T T T # 144 O72
0.43276375 0.59381056 0.33026398 F F F # 145 O73
0.60763546 0.56421299 0.51276316 T T T # 146 O74
0.40606079 0.43314705 0.51294116 T T T # 147 O75
0.57803041 0.40574389 0.33026398 F F F # 148 O76
0.43276375 0.59381056 0.21148189 F F F # 149 O77
0.60632322 0.56660481 0.62993488 T T T # 150 O78
0.41084049 0.42587110 0.63753723 T T T # 151 O79
0.57803041 0.40574389 0.21148189 F F F # 152 O80
0.43810904 0.93496087 0.57142402 T T T # 153 O81
0.59943041 0.90574389 0.27087293 F F F # 154 O82
0.41136375 0.76047723 0.27087293 F F F # 155 O83
0.57376228 0.73340469 0.57591640 T T T # 156 O84
0.44010054 0.93324926 0.45202880 T T T # 157 O85
0.59943041 0.90574389 0.38965502 F F F # 158 O86
0.41136375 0.76047723 0.38965502 F F F # 159 O87
0.57135649 0.73117005 0.45364563 T T T # 160 O88
0.43276375 0.92714389 0.33026398 F F F # 161 O89
0.60693799 0.89775312 0.51313161 T T T # 162 O90
0.40495950 0.76675055 0.51254935 T T T # 163 O91
0.57803041 0.73907723 0.33026398 F F F # 164 O92
0.43276375 0.92714389 0.21148189 F F F # 165 O93
0.60073788 0.90543322 0.63699106 T T T # 166 O94
0.40543562 0.76576230 0.63006435 T T T # 167 O95
0.57803041 0.73907723 0.21148189 F F F # 168 O96
0.77242204 0.26490254 0.57204413 T T T # 169 O97
0.93276375 0.23907723 0.27087293 F F F # 170 O98
0.74469708 0.09381056 0.27087293 F F F # 171 O99
0.90645715 0.06613470 0.57266952 T T T # 172 O100
0.77381436 0.26590682 0.45190281 T T T # 173 O101
0.93276375 0.23907723 0.38965502 F F F # 174 O102
0.74469708 0.09381056 0.38965502 F F F # 175 O103
0.90526494 0.06499776 0.45226465 T T T # 176 O104
0.76609708 0.26047723 0.33026398 F F F # 177 O105
0.94077903 0.23109013 0.51285444 T T T # 178 O106
0.73854218 0.09945833 0.51283404 T T T # 179 O107
0.91136375 0.07241056 0.33026398 F F F # 180 O108
0.76609708 0.26047723 0.21148189 F F F # 181 O109
0.93508624 0.23668600 0.63727384 T T T # 182 O110
0.74405577 0.09459609 0.63682367 T T T # 183 O111
0.91136375 0.07241056 0.21148189 F F F # 184 O112
0.77580523 0.59800087 0.57174549 T T T # 185 O113
0.93276375 0.57241056 0.27087293 F F F # 186 O114
0.74469708 0.42714389 0.27087293 F F F # 187 O115
0.90688744 0.39907907 0.57195036 T T T # 188 O116
0.77346564 0.60011003 0.45214816 T T T # 189 O117
0.93276375 0.57241056 0.38965502 F F F # 190 O118
0.74469708 0.42714389 0.38965502 F F F # 191 O119
0.90592694 0.39807764 0.45189528 T T T # 192 O120
0.76609708 0.59381056 0.33026398 F F F # 193 O121
0.94113082 0.56482342 0.51233220 T T T # 194 O122
0.73959237 0.43234655 0.51118599 T T T # 195 O123
0.91136375 0.40574389 0.33026398 F F F # 196 O124
0.76609708 0.59381056 0.21148189 F F F # 197 O125
0.93610013 0.56984354 0.63610865 T T T # 198 O126
0.74660464 0.42521739 0.63735386 T T T # 199 O127
0.91136375 0.40574389 0.21148189 F F F # 200 O128
0.77228686 0.93204966 0.57229939 T T T # 201 O129
0.93276375 0.90574389 0.27087293 F F F # 202 O130
0.74469708 0.76047723 0.27087293 F F F # 203 O131
0.90679135 0.73306763 0.57285800 T T T # 204 O132
0.77297443 0.93291163 0.45205606 T T T # 205 O133
0.93276375 0.90574389 0.38965502 F F F # 206 O134
0.74469708 0.76047723 0.38965502 F F F # 207 O135
0.90524235 0.73210155 0.45196243 T T T # 208 O136
0.76609708 0.92714389 0.33026398 F F F # 209 O137
0.94028601 0.89772685 0.51295177 T T T # 210 O138
0.73868502 0.76594770 0.51285839 T T T # 211 O139
0.91136375 0.73907723 0.33026398 F F F # 212 O140
0.76609708 0.92714389 0.21148189 F F F # 213 O141
0.93509980 0.90433719 0.63673611 T T T # 214 O142
0.74531243 0.76139118 0.63698341 T T T # 215 O143
0.91136375 0.73907723 0.21148189 F F F # 216 O144
0.50613158 0.66493817 0.70500710 T T T # 217 O885
0.45736255 0.65600700 0.83868639 T T T # 218 Si
0.39323805 0.54704966 0.81370425 T T T # 219 C1
0.46088357 0.66076599 0.91188008 T T T # 220 C2
0.41055421 0.77043883 0.81169449 T T T # 221 C3
0.39335623 0.54538568 0.77057570 T T T # 222 H1
0.42576807 0.48016925 0.82781346 T T T # 223 H2
0.31983456 0.54850153 0.82708867 T T T # 224 H3
0.49309443 0.59570600 0.92761179 T T T # 225 H4
0.50114489 0.72374165 0.92594771 T T T # 226 H5
0.38982558 0.66655006 0.92773444 T T T # 227 H6
0.33682769 0.78027758 0.82423728 T T T # 228 H7
0.45198656 0.83314824 0.82587166 T T T # 229 H8
0.41272609 0.76812976 0.76831255 T T T # 230 H9
0.57216791 0.64562781 0.72012508 T T T # 231 H111
0.62611852 0.63800213 0.81804165 T T T # 232 Cl