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
72 154 1 4 21
Selective dynamics
Direct
0.99714897 0.16273363 0.58342031 T T T # 1 Ti1
0.16846814 0.33317177 0.27471631 F F F # 2 Ti2
0.00420127 0.16733283 0.45860836 T T T # 3 Ti3
0.16846814 0.33317177 0.39349840 F F F # 4 Ti4
0.00180147 0.16650510 0.33410736 F F F # 5 Ti5
0.17039760 0.33643156 0.51387671 T T T # 6 Ti6
0.00180147 0.16650510 0.21532527 F F F # 7 Ti7
0.15984989 0.31999755 0.63305248 T T T # 8 Ti8
0.00250636 0.50124211 0.58477675 T T T # 9 Ti9
0.16846814 0.66650510 0.27471631 F F F # 10 Ti10
0.00350231 0.50277708 0.45923230 T T T # 11 Ti11
0.16846814 0.66650510 0.39349840 F F F # 12 Ti12
0.00180147 0.49983844 0.33410736 F F F # 13 Ti13
0.17326445 0.67286455 0.51353754 T T T # 14 Ti14
0.00180147 0.49983844 0.21532527 F F F # 15 Ti15
0.15923278 0.66219498 0.63187560 T T T # 16 Ti16
0.00109023 0.83678701 0.58587248 T T T # 17 Ti17
0.16846814 0.99983844 0.27471631 F F F # 18 Ti18
0.99965795 0.83174237 0.45949864 T T T # 19 Ti19
0.16846814 0.99983844 0.39349840 F F F # 20 Ti20
0.00180147 0.83317177 0.33410736 F F F # 21 Ti21
0.17005469 0.00086456 0.51236882 T T T # 22 Ti22
0.00180147 0.83317177 0.21532527 F F F # 23 Ti23
0.15981916 0.99610747 0.63294663 T T T # 24 Ti24
0.33281354 0.16204613 0.58713635 T T T # 25 Ti25
0.50180147 0.33317177 0.27471631 F F F # 26 Ti26
0.33637881 0.16876723 0.46036114 T T T # 27 Ti27
0.50180147 0.33317177 0.39349840 F F F # 28 Ti28
0.33513480 0.16650510 0.33410736 F F F # 29 Ti29
0.50489663 0.33659209 0.51400752 T T T # 30 Ti30
0.33513480 0.16650510 0.21532527 F F F # 31 Ti31
0.48970234 0.32550272 0.63347481 T T T # 32 Ti32
0.33080502 0.49848525 0.58751298 T T T # 33 Ti33
0.50180147 0.66650510 0.27471631 F F F # 34 Ti34
0.33594089 0.50134174 0.46043786 T T T # 35 Ti35
0.50180147 0.66650510 0.39349840 F F F # 36 Ti36
0.33513480 0.49983844 0.33410736 F F F # 37 Ti37
0.50364882 0.66787955 0.51401382 T T T # 38 Ti38
0.33513480 0.49983844 0.21532527 F F F # 39 Ti39
0.48824224 0.65736950 0.63678653 T T T # 40 Ti40
0.33671687 0.83679494 0.58395955 T T T # 41 Ti41
0.50180147 0.99983844 0.27471631 F F F # 42 Ti42
0.33697558 0.83405942 0.45866965 T T T # 43 Ti43
0.50180147 0.99983844 0.39349840 F F F # 44 Ti44
0.33513480 0.83317177 0.33410736 F F F # 45 Ti45
0.50027001 0.99830022 0.51455918 T T T # 46 Ti46
0.33513480 0.83317177 0.21532527 F F F # 47 Ti47
0.51154700 0.01134818 0.63361146 T T T # 48 Ti48
0.67329589 0.17213495 0.58511509 T T T # 49 Ti49
0.83513480 0.33317177 0.27471631 F F F # 50 Ti50
0.66628407 0.16491789 0.45933186 T T T # 51 Ti51
0.83513480 0.33317177 0.39349840 F F F # 52 Ti52
0.66846814 0.16650510 0.33410736 F F F # 53 Ti53
0.83589685 0.33256408 0.51118822 T T T # 54 Ti54
0.66846814 0.16650510 0.21532527 F F F # 55 Ti55
0.84171384 0.34129815 0.63106213 T T T # 56 Ti56
0.66845051 0.49898333 0.58461795 T T T # 57 Ti57
0.83513480 0.66650510 0.27471631 F F F # 58 Ti58
0.67067190 0.50125812 0.45905750 T T T # 59 Ti59
0.83513480 0.66650510 0.39349840 F F F # 60 Ti60
0.66846814 0.49983844 0.33410736 F F F # 61 Ti61
0.83303533 0.66474777 0.51714571 T T T # 62 Ti62
0.66846814 0.49983844 0.21532527 F F F # 63 Ti63
0.84141242 0.67638822 0.63808639 T T T # 64 Ti64
0.66250569 0.83003156 0.58708473 T T T # 65 Ti65
0.83513480 0.99983844 0.27471631 F F F # 66 Ti66
0.66992234 0.83366174 0.46003371 T T T # 67 Ti67
0.83513480 0.99983844 0.39349840 F F F # 68 Ti68
0.66846814 0.83317177 0.33410736 F F F # 69 Ti69
0.83578799 0.00173490 0.51309792 T T T # 70 Ti70
0.66846814 0.83317177 0.21532527 F F F # 71 Ti71
0.82358634 0.99233514 0.63302202 T T T # 72 Ti72
0.09732594 0.26700826 0.57368598 T T T # 73 O1
0.26250147 0.23913844 0.27471631 F F F # 74 O2
0.07443480 0.09387177 0.27471631 F F F # 75 O3
0.23224333 0.06552612 0.57486461 T T T # 76 O4
0.10254690 0.26728883 0.45429132 T T T # 77 O5
0.26250147 0.23913844 0.39349840 F F F # 78 O6
0.07443480 0.09387177 0.39349840 F F F # 79 O7
0.23502590 0.06643830 0.45380165 T T T # 80 O8
0.09583480 0.26053844 0.33410736 F F F # 81 O9
0.26775178 0.23234971 0.51421673 T T T # 82 O10
0.06754376 0.10003801 0.51269503 T T T # 83 O11
0.24110147 0.07247177 0.33410736 F F F # 84 O12
0.09583480 0.26053844 0.21532527 F F F # 85 O13
0.26560522 0.23741260 0.63441822 T T T # 86 O14
0.07235330 0.09945991 0.63182220 T T T # 87 O15
0.24110147 0.07247177 0.21532527 F F F # 88 O16
0.09893662 0.60556198 0.57328317 T T T # 89 O17
0.26250147 0.57247177 0.27471631 F F F # 90 O18
0.07443480 0.42720510 0.27471631 F F F # 91 O19
0.23250764 0.39775101 0.57565334 T T T # 92 O20
0.10335919 0.60154325 0.45395476 T T T # 93 O21
0.26250147 0.57247177 0.39349840 F F F # 94 O22
0.07443480 0.42720510 0.39349840 F F F # 95 O23
0.23446706 0.39904976 0.45439358 T T T # 96 O24
0.09583480 0.59387177 0.33410736 F F F # 97 O25
0.26790277 0.56578899 0.51408135 T T T # 98 O26
0.06878978 0.43528323 0.51307098 T T T # 99 O27
0.24110147 0.40580510 0.33410736 F F F # 100 O28
0.09583480 0.59387177 0.21532527 F F F # 101 O29
0.26600830 0.57453865 0.63445400 T T T # 102 O30
0.08145451 0.43983146 0.63094827 T T T # 103 O31
0.24110147 0.40580510 0.21532527 F F F # 104 O32
0.10107886 0.93513195 0.57239678 T T T # 105 O33
0.26250147 0.90580510 0.27471631 F F F # 106 O34
0.07443480 0.76053844 0.27471631 F F F # 107 O35
0.23644068 0.73299980 0.57388747 T T T # 108 O36
0.10259332 0.93438823 0.45405388 T T T # 109 O37
0.26250147 0.90580510 0.39349840 F F F # 110 O38
0.07443480 0.76053844 0.39349840 F F F # 111 O39
0.23554195 0.73373382 0.45366250 T T T # 112 O40
0.09583480 0.92720510 0.33410736 F F F # 113 O41
0.27023069 0.90004710 0.51292489 T T T # 114 O42
0.06868232 0.76815671 0.51301075 T T T # 115 O43
0.24110147 0.73913844 0.33410736 F F F # 116 O44
0.09583480 0.92720510 0.21532527 F F F # 117 O45
0.27014622 0.90833765 0.63061495 T T T # 118 O46
0.08291743 0.77579138 0.63153541 T T T # 119 O47
0.24110147 0.73913844 0.21532527 F F F # 120 O48
0.43478632 0.26309628 0.57490462 T T T # 121 O49
0.59583480 0.23913844 0.27471631 F F F # 122 O50
0.40776814 0.09387177 0.27471631 F F F # 123 O51
0.57060379 0.06964987 0.57508356 T T T # 124 O52
0.43540811 0.26713479 0.45402548 T T T # 125 O53
0.59583480 0.23913844 0.39349840 F F F # 126 O54
0.40776814 0.09387177 0.39349840 F F F # 127 O55
0.56841175 0.06655821 0.45357393 T T T # 128 O56
0.42916814 0.26053844 0.33410736 F F F # 129 O57
0.60342530 0.23416013 0.51325441 T T T # 130 O58
0.40128785 0.10054769 0.51399177 T T T # 131 O59
0.57443480 0.07247177 0.33410736 F F F # 132 O60
0.42916814 0.26053844 0.21532527 F F F # 133 O61
0.60891735 0.25109887 0.63015494 T T T # 134 O62
0.39840876 0.08694142 0.63429400 T T T # 135 O63
0.57443480 0.07247177 0.21532527 F F F # 136 O64
0.43370311 0.59890129 0.57532912 T T T # 137 O65
0.59583480 0.57247177 0.27471631 F F F # 138 O66
0.40776814 0.42720510 0.27471631 F F F # 139 O67
0.56470857 0.40057618 0.57393206 T T T # 140 O68
0.43554165 0.59968332 0.45412649 T T T # 141 O69
0.59583480 0.57247177 0.39349840 F F F # 142 O70
0.40776814 0.42720510 0.39349840 F F F # 143 O71
0.56754424 0.39935343 0.45448488 T T T # 144 O72
0.42916814 0.59387177 0.33410736 F F F # 145 O73
0.60225460 0.56501487 0.51350679 T T T # 146 O74
0.39948968 0.43253377 0.51419594 T T T # 147 O75
0.57443480 0.40580510 0.33410736 F F F # 148 O76
0.42916814 0.59387177 0.21532527 F F F # 149 O77
0.60003150 0.57492624 0.63311594 T T T # 150 O78
0.40692483 0.43324781 0.63515588 T T T # 151 O79
0.57443480 0.40580510 0.21532527 F F F # 152 O80
0.43801546 0.93552701 0.57214062 T T T # 153 O81
0.59583480 0.90580510 0.27471631 F F F # 154 O82
0.40776814 0.76053844 0.27471631 F F F # 155 O83
0.56434679 0.72811489 0.57547815 T T T # 156 O84
0.43641535 0.93443012 0.45431301 T T T # 157 O85
0.59583480 0.90580510 0.39349840 F F F # 158 O86
0.40776814 0.76053844 0.39349840 F F F # 159 O87
0.56768546 0.73178183 0.45446603 T T T # 160 O88
0.42916814 0.92720510 0.33410736 F F F # 161 O89
0.60223501 0.89858606 0.51377351 T T T # 162 O90
0.40190519 0.76680698 0.51241624 T T T # 163 O91
0.57443480 0.73913844 0.33410736 F F F # 164 O92
0.42916814 0.92720510 0.21532527 F F F # 165 O93
0.58855438 0.89610843 0.63355285 T T T # 166 O94
0.41251728 0.76837345 0.63194192 T T T # 167 O95
0.57443480 0.73913844 0.21532527 F F F # 168 O96
0.77287468 0.27031133 0.57311506 T T T # 169 O97
0.92916814 0.23913844 0.27471631 F F F # 170 O98
0.74110147 0.09387177 0.27471631 F F F # 171 O99
0.89951721 0.06216755 0.57281868 T T T # 172 O100
0.76956091 0.26763112 0.45394697 T T T # 173 O101
0.92916814 0.23913844 0.39349840 F F F # 174 O102
0.74110147 0.09387177 0.39349840 F F F # 175 O103
0.90073923 0.06491264 0.45437289 T T T # 176 O104
0.76250147 0.26053844 0.33410736 F F F # 177 O105
0.93527496 0.23159389 0.51244903 T T T # 178 O106
0.73506897 0.10114545 0.51319787 T T T # 179 O107
0.90776814 0.07247177 0.33410736 F F F # 180 O108
0.76250147 0.26053844 0.21532527 F F F # 181 O109
0.91967162 0.22580962 0.62997747 T T T # 182 O110
0.74612354 0.10503928 0.63288315 T T T # 183 O111
0.90776814 0.07247177 0.21532527 F F F # 184 O112
0.77045418 0.59927877 0.57406330 T T T # 185 O113
0.92916814 0.57247177 0.27471631 F F F # 186 O114
0.74110147 0.42720510 0.27471631 F F F # 187 O115
0.90601373 0.39804130 0.57351308 T T T # 188 O116
0.76909459 0.60049626 0.45459084 T T T # 189 O117
0.92916814 0.57247177 0.39349840 F F F # 190 O118
0.74110147 0.42720510 0.39349840 F F F # 191 O119
0.90199707 0.39986117 0.45353424 T T T # 192 O120
0.76250147 0.59387177 0.33410736 F F F # 193 O121
0.93597773 0.56740031 0.51286425 T T T # 194 O122
0.73518400 0.43413329 0.51347049 T T T # 195 O123
0.90776814 0.40580510 0.33410736 F F F # 196 O124
0.76250147 0.59387177 0.21532527 F F F # 197 O125
0.92267313 0.56164693 0.63196990 T T T # 198 O126
0.73455411 0.42626681 0.63217186 T T T # 199 O127
0.90776814 0.40580510 0.21532527 F F F # 200 O128
0.76341914 0.93233491 0.57511378 T T T # 201 O129
0.92916814 0.90580510 0.27471631 F F F # 202 O130
0.74110147 0.76053844 0.27471631 F F F # 203 O131
0.90207046 0.73231043 0.57740527 T T T # 204 O132
0.76826925 0.93304525 0.45366822 T T T # 205 O133
0.92916814 0.90580510 0.39349840 F F F # 206 O134
0.74110147 0.76053844 0.39349840 F F F # 207 O135
0.90129340 0.73298976 0.45385459 T T T # 208 O136
0.76250147 0.92720510 0.33410736 F F F # 209 O137
0.93406311 0.89808895 0.51386334 T T T # 210 O138
0.73430667 0.76564945 0.51389212 T T T # 211 O139
0.90776814 0.73913844 0.33410736 F F F # 212 O140
0.76250147 0.92720510 0.21532527 F F F # 213 O141
0.93635620 0.91199786 0.63273843 T T T # 214 O142
0.73649830 0.76026510 0.63372443 T T T # 215 O143
0.90776814 0.73913844 0.21532527 F F F # 216 O144
0.46395685 0.63814269 0.71526407 T T T # 217 O885
0.10847887 0.30089755 0.70056485 T T T # 218 O146
0.11244483 0.63725638 0.70151577 T T T # 219 O293
0.14671902 0.97086141 0.70526741 T T T # 220 O441
0.46777678 0.27183971 0.69971885 T T T # 221 O590
0.55880274 0.05523764 0.69873710 T T T # 222 O740
0.87919292 0.35456001 0.70339132 T T T # 223 O891
0.90987337 0.71479541 0.69704015 T T T # 224 O1043
0.78653373 0.95610023 0.70156711 T T T # 225 O1196
0.69532544 0.62349413 0.71847179 T T T # 226 O154
0.43108473 0.64649801 0.77748052 T T T # 227 Si
0.35909264 0.53662455 0.80153265 T T T # 228 C1
0.52472987 0.66661609 0.83527975 T T T # 229 C2
0.35065235 0.75949834 0.78253123 T T T # 230 C3
0.72826388 0.55383270 0.75787118 T T T # 231 C4
0.30253875 0.52300832 0.77129550 T T T # 232 H1
0.40527402 0.47162597 0.80450708 T T T # 233 H2
0.32351653 0.54589883 0.84147338 T T T # 234 H3
0.57035906 0.60201755 0.84242405 T T T # 235 H4
0.57139102 0.72939626 0.82658329 T T T # 236 H5
0.48886926 0.68190886 0.87487690 T T T # 237 H6
0.31686782 0.76846000 0.82262232 T T T # 238 H7
0.39445734 0.82377090 0.77341568 T T T # 239 H8
0.29414933 0.75021162 0.75184573 T T T # 240 H9
0.64252178 0.59568479 0.69552778 T T T # 241 H111
0.05057725 0.33768419 0.71074406 T T T # 242 H17
0.12522681 0.57220435 0.71583811 T T T # 243 H35
0.19119373 0.92894358 0.72470160 T T T # 244 H54
0.49635733 0.20989559 0.71058574 T T T # 245 H74
0.62192937 0.03253997 0.71139534 T T T # 246 H95
0.89083983 0.29490543 0.72360970 T T T # 247 H117
0.97693232 0.69391882 0.70494253 T T T # 248 H140
0.81602153 0.89934862 0.71823350 T T T # 249 H164
0.69619149 0.48140605 0.75512239 T T T # 250 H19
0.80777404 0.54778418 0.75316679 T T T # 251 H20
0.71490926 0.58443954 0.79884379 T T T # 252 H21