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 N C H
72 145 1 1 5 16
Selective dynamics
Direct
0.00134493 0.16437789 0.59126234 T T T # 1 Ti1
0.16806250 0.33109545 0.27363425 F F F # 2 Ti2
0.00186742 0.16390635 0.46080068 T T T # 3 Ti3
0.16806250 0.33109545 0.39241634 F F F # 4 Ti4
0.00139583 0.16442878 0.33302530 F F F # 5 Ti5
0.16985664 0.33091248 0.50815312 T T T # 6 Ti6
0.00139583 0.16442878 0.21424321 F F F # 7 Ti7
0.16889301 0.33139694 0.62395998 T T T # 8 Ti8
0.00251759 0.49615550 0.58985715 T T T # 9 Ti9
0.16806250 0.66442878 0.27363425 F F F # 10 Ti10
0.00227640 0.49711543 0.46072380 T T T # 11 Ti11
0.16806250 0.66442878 0.39241634 F F F # 12 Ti12
0.00139583 0.49776212 0.33302530 F F F # 13 Ti13
0.16856658 0.66360031 0.50817959 T T T # 14 Ti14
0.00139583 0.49776212 0.21424321 F F F # 15 Ti15
0.16777192 0.66442838 0.62398342 T T T # 16 Ti16
0.00032386 0.83037574 0.59110407 T T T # 17 Ti17
0.16806250 0.99776212 0.27363425 F F F # 18 Ti18
0.00149657 0.83029624 0.46108963 T T T # 19 Ti19
0.16806250 0.99776212 0.39241634 F F F # 20 Ti20
0.00139583 0.83109545 0.33302530 F F F # 21 Ti21
0.16742469 0.99787013 0.50798387 T T T # 22 Ti22
0.00139583 0.83109545 0.21424321 F F F # 23 Ti23
0.16717769 0.99779401 0.62409797 T T T # 24 Ti24
0.33419015 0.16410696 0.59072301 T T T # 25 Ti25
0.50139583 0.33109545 0.27363425 F F F # 26 Ti26
0.33547682 0.16386059 0.46080698 T T T # 27 Ti27
0.50139583 0.33109545 0.39241634 F F F # 28 Ti28
0.33472916 0.16442878 0.33302530 F F F # 29 Ti29
0.50198569 0.33054007 0.50813485 T T T # 30 Ti30
0.33472916 0.16442878 0.21424321 F F F # 31 Ti31
0.50140826 0.33037996 0.62400112 T T T # 32 Ti32
0.33765215 0.50037565 0.59184143 T T T # 33 Ti33
0.50139583 0.66442878 0.27363425 F F F # 34 Ti34
0.33664183 0.49837593 0.46145329 T T T # 35 Ti35
0.50139583 0.66442878 0.39241634 F F F # 36 Ti36
0.33472916 0.49776212 0.33302530 F F F # 37 Ti37
0.50186524 0.66362180 0.51192167 T T T # 38 Ti38
0.33472916 0.49776212 0.21424321 F F F # 39 Ti39
0.50013716 0.66607340 0.63336681 T T T # 40 Ti40
0.33055515 0.83476253 0.58773543 T T T # 41 Ti41
0.50139583 0.99776212 0.27363425 F F F # 42 Ti42
0.33567761 0.82995556 0.46019962 T T T # 43 Ti43
0.50139583 0.99776212 0.39241634 F F F # 44 Ti44
0.33472916 0.83109545 0.33302530 F F F # 45 Ti45
0.50204419 0.99696450 0.50815687 T T T # 46 Ti46
0.33472916 0.83109545 0.21424321 F F F # 47 Ti47
0.50065973 0.99773450 0.62412533 T T T # 48 Ti48
0.66795721 0.16390644 0.59057139 T T T # 49 Ti49
0.83472916 0.33109545 0.27363425 F F F # 50 Ti50
0.66859273 0.16348359 0.46084448 T T T # 51 Ti51
0.83472916 0.33109545 0.39241634 F F F # 52 Ti52
0.66806250 0.16442878 0.33302530 F F F # 53 Ti53
0.83584744 0.32974962 0.50788801 T T T # 54 Ti54
0.66806250 0.16442878 0.21424321 F F F # 55 Ti55
0.83471526 0.33034179 0.62389245 T T T # 56 Ti56
0.67088117 0.49478583 0.58812811 T T T # 57 Ti57
0.83472916 0.66442878 0.27363425 F F F # 58 Ti58
0.66863409 0.49787262 0.46027817 T T T # 59 Ti59
0.83472916 0.66442878 0.39241634 F F F # 60 Ti60
0.66806250 0.49776212 0.33302530 F F F # 61 Ti61
0.83575316 0.66413348 0.50898619 T T T # 62 Ti62
0.66806250 0.49776212 0.21424321 F F F # 63 Ti63
0.83408773 0.66241208 0.62598343 T T T # 64 Ti64
0.66420534 0.82934854 0.59095391 T T T # 65 Ti65
0.83472916 0.99776212 0.27363425 F F F # 66 Ti66
0.66764240 0.82882325 0.46121396 T T T # 67 Ti67
0.83472916 0.99776212 0.39241634 F F F # 68 Ti68
0.66806250 0.83109545 0.33302530 F F F # 69 Ti69
0.83447922 0.99631730 0.50816083 T T T # 70 Ti70
0.66806250 0.83109545 0.21424321 F F F # 71 Ti71
0.83383730 0.99722128 0.62387624 T T T # 72 Ti72
0.10127751 0.26354123 0.57532590 T T T # 73 O1
0.26209583 0.23706212 0.27363425 F F F # 74 O2
0.07402916 0.09179545 0.27363425 F F F # 75 O3
0.23466249 0.06485336 0.57484323 T T T # 76 O4
0.10239928 0.26493057 0.45501457 T T T # 77 O5
0.26209583 0.23706212 0.39241634 F F F # 78 O6
0.07402916 0.09179545 0.39241634 F F F # 79 O7
0.23370748 0.06386689 0.45477937 T T T # 80 O8
0.09542916 0.25846212 0.33302530 F F F # 81 O9
0.26928331 0.23001036 0.51562054 T T T # 82 O10
0.06717745 0.09840083 0.51549691 T T T # 83 O11
0.24069583 0.07039545 0.33302530 F F F # 84 O12
0.09542916 0.25846212 0.21424321 F F F # 85 O13
0.26319717 0.23493701 0.63962310 T T T # 86 O14
0.07213180 0.09334349 0.64015619 T T T # 87 O15
0.24069583 0.07039545 0.21424321 F F F # 88 O16
0.10143500 0.59666408 0.57488184 T T T # 89 O17
0.26209583 0.57039545 0.27363425 F F F # 90 O18
0.07402916 0.42512878 0.27363425 F F F # 91 O19
0.23556098 0.39810164 0.57509752 T T T # 92 O20
0.10223202 0.59796953 0.45462059 T T T # 93 O21
0.26209583 0.57039545 0.39241634 F F F # 94 O22
0.07402916 0.42512878 0.39241634 F F F # 95 O23
0.23451440 0.39721813 0.45484548 T T T # 96 O24
0.09542916 0.59179545 0.33302530 F F F # 97 O25
0.26937040 0.56373228 0.51584118 T T T # 98 O26
0.06761240 0.43171993 0.51544890 T T T # 99 O27
0.24069583 0.40372878 0.33302530 F F F # 100 O28
0.09542916 0.59179545 0.21424321 F F F # 101 O29
0.26171724 0.56940293 0.64022908 T T T # 102 O30
0.07309915 0.42529801 0.63958922 T T T # 103 O31
0.24069583 0.40372878 0.21424321 F F F # 104 O32
0.10021857 0.93046523 0.57493700 T T T # 105 O33
0.26209583 0.90372878 0.27363425 F F F # 106 O34
0.07402916 0.75846212 0.27363425 F F F # 107 O35
0.23193996 0.73220333 0.57415553 T T T # 108 O36
0.10158376 0.93182899 0.45472051 T T T # 109 O37
0.26209583 0.90372878 0.39241634 F F F # 110 O38
0.07402916 0.75846212 0.39241634 F F F # 111 O39
0.23397546 0.73031670 0.45477718 T T T # 112 O40
0.09542916 0.92512878 0.33302530 F F F # 113 O41
0.26838739 0.89707652 0.51447830 T T T # 114 O42
0.06650260 0.76456413 0.51535074 T T T # 115 O43
0.24069583 0.73706212 0.33302530 F F F # 116 O44
0.09542916 0.92512878 0.21424321 F F F # 117 O45
0.26070664 0.90469705 0.64005471 T T T # 118 O46
0.07235921 0.75935722 0.64004373 T T T # 119 O47
0.24069583 0.73706212 0.21424321 F F F # 120 O48
0.43385196 0.26316806 0.57512597 T T T # 121 O49
0.59542916 0.23706212 0.27363425 F F F # 122 O50
0.40736250 0.09179545 0.27363425 F F F # 123 O51
0.56845960 0.06479656 0.57509414 T T T # 124 O52
0.43520786 0.26491051 0.45467644 T T T # 125 O53
0.59542916 0.23706212 0.39241634 F F F # 126 O54
0.40736250 0.09179545 0.39241634 F F F # 127 O55
0.56765583 0.06340868 0.45466619 T T T # 128 O56
0.42876250 0.25846212 0.33302530 F F F # 129 O57
0.60217157 0.22936699 0.51521910 T T T # 130 O58
0.40076064 0.09871131 0.51516475 T T T # 131 O59
0.57402916 0.07039545 0.33302530 F F F # 132 O60
0.42876250 0.25846212 0.21424321 F F F # 133 O61
0.59638611 0.23452705 0.63959659 T T T # 134 O62
0.40552233 0.09326977 0.63970466 T T T # 135 O63
0.57402916 0.07039545 0.21424321 F F F # 136 O64
0.43369100 0.59650639 0.57903349 T T T # 137 O65
0.59542916 0.57039545 0.27363425 F F F # 138 O66
0.40736250 0.42512878 0.27363425 F F F # 139 O67
0.56918100 0.39455348 0.57426621 T T T # 140 O68
0.43621322 0.59884710 0.45636854 T T T # 141 O69
0.59542916 0.57039545 0.39241634 F F F # 142 O70
0.40736250 0.42512878 0.39241634 F F F # 143 O71
0.56738860 0.39700052 0.45480182 T T T # 144 O72
0.42876250 0.59179545 0.33302530 F F F # 145 O73
0.60296580 0.56268071 0.51575228 T T T # 146 O74
0.40121054 0.43193983 0.51591934 T T T # 147 O75
0.57402916 0.40372878 0.33302530 F F F # 148 O76
0.42876250 0.59179545 0.21424321 F F F # 149 O77
0.60110862 0.56391767 0.63320770 T T T # 150 O78
0.40644103 0.42438239 0.64030258 T T T # 151 O79
0.57402916 0.40372878 0.21424321 F F F # 152 O80
0.43338731 0.93313535 0.57418669 T T T # 153 O81
0.59542916 0.90372878 0.27363425 F F F # 154 O82
0.40736250 0.75846212 0.27363425 F F F # 155 O83
0.56825634 0.73195851 0.57882361 T T T # 156 O84
0.43540148 0.93163659 0.45474380 T T T # 157 O85
0.59542916 0.90372878 0.39241634 F F F # 158 O86
0.40736250 0.75846212 0.39241634 F F F # 159 O87
0.56686285 0.72945102 0.45645225 T T T # 160 O88
0.42876250 0.92512878 0.33302530 F F F # 161 O89
0.60195736 0.89641154 0.51564720 T T T # 162 O90
0.40010712 0.76530900 0.51530098 T T T # 163 O91
0.57402916 0.73706212 0.33302530 F F F # 164 O92
0.42876250 0.92512878 0.21424321 F F F # 165 O93
0.59553137 0.90455221 0.64038746 T T T # 166 O94
0.40017773 0.76371784 0.63308128 T T T # 167 O95
0.57402916 0.73706212 0.21424321 F F F # 168 O96
0.76752331 0.26306758 0.57467880 T T T # 169 O97
0.92876250 0.23706212 0.27363425 F F F # 170 O98
0.74069583 0.09179545 0.27363425 F F F # 171 O99
0.90198415 0.06454627 0.57537487 T T T # 172 O100
0.76923653 0.26427490 0.45459709 T T T # 173 O101
0.92876250 0.23706212 0.39241634 F F F # 174 O102
0.74069583 0.09179545 0.39241634 F F F # 175 O103
0.90084730 0.06339493 0.45499999 T T T # 176 O104
0.76209583 0.25846212 0.33302530 F F F # 177 O105
0.93587611 0.22969159 0.51556761 T T T # 178 O106
0.73373161 0.09823361 0.51555682 T T T # 179 O107
0.90736250 0.07039545 0.33302530 F F F # 180 O108
0.76209583 0.25846212 0.21424321 F F F # 181 O109
0.93037295 0.23485671 0.64010957 T T T # 182 O110
0.73936539 0.09308640 0.63957964 T T T # 183 O111
0.90736250 0.07039545 0.21424321 F F F # 184 O112
0.77064835 0.59579417 0.57505610 T T T # 185 O113
0.92876250 0.57039545 0.27363425 F F F # 186 O114
0.74069583 0.42512878 0.27363425 F F F # 187 O115
0.90221954 0.39710707 0.57456428 T T T # 188 O116
0.76907632 0.59864906 0.45524963 T T T # 189 O117
0.92876250 0.57039545 0.39241634 F F F # 190 O118
0.74069583 0.42512878 0.39241634 F F F # 191 O119
0.90135376 0.39645805 0.45466869 T T T # 192 O120
0.76209583 0.59179545 0.33302530 F F F # 193 O121
0.93639479 0.56328097 0.51521569 T T T # 194 O122
0.73470833 0.43086150 0.51409639 T T T # 195 O123
0.90736250 0.40372878 0.33302530 F F F # 196 O124
0.76209583 0.59179545 0.21424321 F F F # 197 O125
0.93238083 0.56763431 0.63817701 T T T # 198 O126
0.74205395 0.42306822 0.64043566 T T T # 199 O127
0.90736250 0.40372878 0.21424321 F F F # 200 O128
0.76719294 0.93115462 0.57484872 T T T # 201 O129
0.92876250 0.90372878 0.27363425 F F F # 202 O130
0.74069583 0.75846212 0.27363425 F F F # 203 O131
0.90217569 0.73128220 0.57656566 T T T # 204 O132
0.76851081 0.93128979 0.45483439 T T T # 205 O133
0.92876250 0.90372878 0.39241634 F F F # 206 O134
0.74069583 0.75846212 0.39241634 F F F # 207 O135
0.90067330 0.73041603 0.45497998 T T T # 208 O136
0.76209583 0.92512878 0.33302530 F F F # 209 O137
0.93529797 0.89622547 0.51585524 T T T # 210 O138
0.73383529 0.76457343 0.51579757 T T T # 211 O139
0.90736250 0.73706212 0.33302530 F F F # 212 O140
0.76209583 0.92512878 0.21424321 F F F # 213 O141
0.92975786 0.90254501 0.63999074 T T T # 214 O142
0.73980960 0.76099579 0.63832261 T T T # 215 O143
0.90736250 0.73706212 0.21424321 F F F # 216 O144
0.50434265 0.66612917 0.70770536 T T T # 217 O885
0.46817224 0.67999221 0.80883125 T T T # 218 Si
0.69940766 0.64953610 0.77121191 T T T # 219 N
0.37763248 0.58655084 0.80313674 T T T # 220 C1
0.51731839 0.66789910 0.87430698 T T T # 221 C2
0.42251196 0.80271669 0.79665468 T T T # 222 C3
0.75858528 0.72686317 0.77471186 T T T # 223 C4
0.72819900 0.55675669 0.78307430 T T T # 224 C5
0.34959087 0.58800029 0.76377779 T T T # 225 H1
0.40303719 0.51378945 0.81216160 T T T # 226 H2
0.32118043 0.59977883 0.82996849 T T T # 227 H3
0.54632558 0.59691558 0.88138957 T T T # 228 H4
0.57054958 0.72234255 0.87959996 T T T # 229 H5
0.46517230 0.67680593 0.90329206 T T T # 230 H6
0.36826563 0.81367458 0.82238466 T T T # 231 H7
0.47166050 0.85831921 0.80145157 T T T # 232 H8
0.39749305 0.81177835 0.75844212 T T T # 233 H9
0.78446013 0.73438202 0.80766761 T T T # 234 H10
0.80557462 0.71165118 0.75097371 T T T # 235 H11
0.73373211 0.79556944 0.76692294 T T T # 236 H12
0.68080775 0.50139157 0.78041897 T T T # 237 H13
0.77623666 0.53460447 0.75996298 T T T # 238 H14
0.75268918 0.56090236 0.81688922 T T T # 239 H15
0.63771792 0.64083095 0.71975181 T T T # 240 H111