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
0.00197344 0.16496277 0.59058073 T T T # 1 Ti1
0.16894478 0.33154302 0.27299237 F F F # 2 Ti2
0.00321167 0.16390412 0.46014113 T T T # 3 Ti3
0.16894478 0.33154302 0.39177446 F F F # 4 Ti4
0.00227811 0.16487635 0.33238342 F F F # 5 Ti5
0.17122253 0.33090003 0.50750906 T T T # 6 Ti6
0.00227811 0.16487635 0.21360133 F F F # 7 Ti7
0.16968786 0.33174463 0.62333499 T T T # 8 Ti8
0.00323225 0.49677205 0.58935447 T T T # 9 Ti9
0.16894478 0.66487635 0.27299237 F F F # 10 Ti10
0.00370716 0.49701732 0.46009489 T T T # 11 Ti11
0.16894478 0.66487635 0.39177446 F F F # 12 Ti12
0.00227811 0.49820969 0.33238342 F F F # 13 Ti13
0.17005809 0.66347419 0.50754043 T T T # 14 Ti14
0.00227811 0.49820969 0.21360133 F F F # 15 Ti15
0.16867283 0.66487309 0.62338279 T T T # 16 Ti16
0.00142845 0.83096876 0.59033427 T T T # 17 Ti17
0.16894478 0.99820969 0.27299237 F F F # 18 Ti18
0.00294617 0.83023133 0.46039479 T T T # 19 Ti19
0.16894478 0.99820969 0.39177446 F F F # 20 Ti20
0.00227811 0.83154302 0.33238342 F F F # 21 Ti21
0.16879378 0.99790654 0.50731499 T T T # 22 Ti22
0.00227811 0.83154302 0.21360133 F F F # 23 Ti23
0.16797981 0.99848872 0.62343863 T T T # 24 Ti24
0.33516085 0.16455114 0.59000803 T T T # 25 Ti25
0.50227811 0.33154302 0.27299237 F F F # 26 Ti26
0.33690352 0.16380660 0.46015146 T T T # 27 Ti27
0.50227811 0.33154302 0.39177446 F F F # 28 Ti28
0.33561144 0.16487635 0.33238342 F F F # 29 Ti29
0.50338705 0.33043590 0.50749630 T T T # 30 Ti30
0.33561144 0.16487635 0.21360133 F F F # 31 Ti31
0.50236759 0.33079289 0.62336028 T T T # 32 Ti32
0.33839480 0.50061254 0.59122175 T T T # 33 Ti33
0.50227811 0.66487635 0.27299237 F F F # 34 Ti34
0.33810171 0.49830526 0.46078844 T T T # 35 Ti35
0.50227811 0.66487635 0.39177446 F F F # 36 Ti36
0.33561144 0.49820969 0.33238342 F F F # 37 Ti37
0.50344492 0.66369692 0.51122601 T T T # 38 Ti38
0.33561144 0.49820969 0.21360133 F F F # 39 Ti39
0.50007606 0.66654956 0.63261792 T T T # 40 Ti40
0.33128193 0.83546217 0.58705839 T T T # 41 Ti41
0.50227811 0.99820969 0.27299237 F F F # 42 Ti42
0.33711501 0.82987616 0.45955530 T T T # 43 Ti43
0.50227811 0.99820969 0.39177446 F F F # 44 Ti44
0.33561144 0.83154302 0.33238342 F F F # 45 Ti45
0.50353298 0.99682459 0.50751542 T T T # 46 Ti46
0.33561144 0.83154302 0.21360133 F F F # 47 Ti47
0.50161182 0.99811759 0.62347971 T T T # 48 Ti48
0.66896414 0.16429719 0.58994040 T T T # 49 Ti49
0.83561144 0.33154302 0.27299237 F F F # 50 Ti50
0.66999808 0.16342237 0.46019920 T T T # 51 Ti51
0.83561144 0.33154302 0.39177446 F F F # 52 Ti52
0.66894478 0.16487635 0.33238342 F F F # 53 Ti53
0.83717838 0.32977252 0.50726701 T T T # 54 Ti54
0.66894478 0.16487635 0.21360133 F F F # 55 Ti55
0.83545005 0.33101442 0.62329912 T T T # 56 Ti56
0.67155017 0.49549604 0.58752718 T T T # 57 Ti57
0.83561144 0.66487635 0.27299237 F F F # 58 Ti58
0.66997920 0.49772075 0.45959261 T T T # 59 Ti59
0.83561144 0.66487635 0.39177446 F F F # 60 Ti60
0.66894478 0.49820969 0.33238342 F F F # 61 Ti61
0.83712180 0.66396032 0.50818053 T T T # 62 Ti62
0.66894478 0.49820969 0.21360133 F F F # 63 Ti63
0.83520519 0.66313034 0.62494570 T T T # 64 Ti64
0.66521858 0.82933624 0.59052050 T T T # 65 Ti65
0.83561144 0.99820969 0.27299237 F F F # 66 Ti66
0.66911921 0.82883724 0.46060461 T T T # 67 Ti67
0.83561144 0.99820969 0.39177446 F F F # 68 Ti68
0.66894478 0.83154302 0.33238342 F F F # 69 Ti69
0.83589765 0.99625729 0.50754236 T T T # 70 Ti70
0.66894478 0.83154302 0.21360133 F F F # 71 Ti71
0.83472307 0.99748727 0.62326522 T T T # 72 Ti72
0.10218165 0.26390801 0.57469426 T T T # 73 O1
0.26297811 0.23750969 0.27299237 F F F # 74 O2
0.07491144 0.09224302 0.27299237 F F F # 75 O3
0.23560075 0.06532569 0.57418044 T T T # 76 O4
0.10334587 0.26530502 0.45439494 T T T # 77 O5
0.26297811 0.23750969 0.39177446 F F F # 78 O6
0.07491144 0.09224302 0.39177446 F F F # 79 O7
0.23474051 0.06420843 0.45413776 T T T # 80 O8
0.09631144 0.25890969 0.33238342 F F F # 81 O9
0.27036467 0.23031231 0.51500855 T T T # 82 O10
0.06822654 0.09866597 0.51477834 T T T # 83 O11
0.24157811 0.07084302 0.33238342 F F F # 84 O12
0.09631144 0.25890969 0.21360133 F F F # 85 O13
0.26411796 0.23532658 0.63892143 T T T # 86 O14
0.07297246 0.09383380 0.63947750 T T T # 87 O15
0.24157811 0.07084302 0.21360133 F F F # 88 O16
0.10227471 0.59708402 0.57431479 T T T # 89 O17
0.26297811 0.57084302 0.27299237 F F F # 90 O18
0.07491144 0.42557635 0.27299237 F F F # 91 O19
0.23646641 0.39841267 0.57449768 T T T # 92 O20
0.10323249 0.59832083 0.45400712 T T T # 93 O21
0.26297811 0.57084302 0.39177446 F F F # 94 O22
0.07491144 0.42557635 0.39177446 F F F # 95 O23
0.23549082 0.39757076 0.45421756 T T T # 96 O24
0.09631144 0.59224302 0.33238342 F F F # 97 O25
0.27037878 0.56394671 0.51523386 T T T # 98 O26
0.06863948 0.43204661 0.51486365 T T T # 99 O27
0.24157811 0.40417635 0.33238342 F F F # 100 O28
0.09631144 0.59224302 0.21360133 F F F # 101 O29
0.26259382 0.56967102 0.63957219 T T T # 102 O30
0.07389476 0.42578465 0.63892607 T T T # 103 O31
0.24157811 0.40417635 0.21360133 F F F # 104 O32
0.10119397 0.93096642 0.57427835 T T T # 105 O33
0.26297811 0.90417635 0.27299237 F F F # 106 O34
0.07491144 0.75890969 0.27299237 F F F # 107 O35
0.23304323 0.73251042 0.57358014 T T T # 108 O36
0.10261401 0.93216914 0.45408161 T T T # 109 O37
0.26297811 0.90417635 0.39177446 F F F # 110 O38
0.07491144 0.75890969 0.39177446 F F F # 111 O39
0.23498809 0.73064852 0.45416017 T T T # 112 O40
0.09631144 0.92557635 0.33238342 F F F # 113 O41
0.26947426 0.89734656 0.51393384 T T T # 114 O42
0.06763030 0.76491800 0.51468427 T T T # 115 O43
0.24157811 0.73750969 0.33238342 F F F # 116 O44
0.09631144 0.92557635 0.21360133 F F F # 117 O45
0.26158569 0.90519746 0.63933577 T T T # 118 O46
0.07329935 0.75982113 0.63929918 T T T # 119 O47
0.24157811 0.73750969 0.21360133 F F F # 120 O48
0.43488637 0.26353651 0.57446950 T T T # 121 O49
0.59631144 0.23750969 0.27299237 F F F # 122 O50
0.40824478 0.09224302 0.27299237 F F F # 123 O51
0.56949918 0.06509164 0.57448800 T T T # 124 O52
0.43621100 0.26526411 0.45404131 T T T # 125 O53
0.59631144 0.23750969 0.39177446 F F F # 126 O54
0.40824478 0.09224302 0.39177446 F F F # 127 O55
0.56867493 0.06374898 0.45403818 T T T # 128 O56
0.42964478 0.25890969 0.33238342 F F F # 129 O57
0.60322374 0.22964367 0.51458996 T T T # 130 O58
0.40182302 0.09902640 0.51452664 T T T # 131 O59
0.57491144 0.07084302 0.33238342 F F F # 132 O60
0.42964478 0.25890969 0.21360133 F F F # 133 O61
0.59734484 0.23490333 0.63895488 T T T # 134 O62
0.40652075 0.09360573 0.63901912 T T T # 135 O63
0.57491144 0.07084302 0.21360133 F F F # 136 O64
0.43448681 0.59682212 0.57832877 T T T # 137 O65
0.59631144 0.57084302 0.27299237 F F F # 138 O66
0.40824478 0.42557635 0.27299237 F F F # 139 O67
0.57015484 0.39499765 0.57365272 T T T # 140 O68
0.43724059 0.59919693 0.45575428 T T T # 141 O69
0.59631144 0.57084302 0.39177446 F F F # 142 O70
0.40824478 0.42557635 0.39177446 F F F # 143 O71
0.56836933 0.39734683 0.45416884 T T T # 144 O72
0.42964478 0.59224302 0.33238342 F F F # 145 O73
0.60401665 0.56297678 0.51515651 T T T # 146 O74
0.40223287 0.43217740 0.51526117 T T T # 147 O75
0.57491144 0.40417635 0.33238342 F F F # 148 O76
0.42964478 0.59224302 0.21360133 F F F # 149 O77
0.60212719 0.56462798 0.63262281 T T T # 150 O78
0.40735478 0.42469107 0.63967124 T T T # 151 O79
0.57491144 0.40417635 0.21360133 F F F # 152 O80
0.43435810 0.93354610 0.57353637 T T T # 153 O81
0.59631144 0.90417635 0.27299237 F F F # 154 O82
0.40824478 0.75890969 0.27299237 F F F # 155 O83
0.56935313 0.73224047 0.57820240 T T T # 156 O84
0.43639289 0.93199466 0.45411921 T T T # 157 O85
0.59631144 0.90417635 0.39177446 F F F # 158 O86
0.40824478 0.75890969 0.39177446 F F F # 159 O87
0.56790109 0.72981352 0.45578210 T T T # 160 O88
0.42964478 0.92557635 0.33238342 F F F # 161 O89
0.60301871 0.89664601 0.51508007 T T T # 162 O90
0.40119566 0.76564032 0.51463725 T T T # 163 O91
0.57491144 0.73750969 0.33238342 F F F # 164 O92
0.42964478 0.92557635 0.21360133 F F F # 165 O93
0.59653511 0.90468093 0.63973731 T T T # 166 O94
0.40135112 0.76458999 0.63252615 T T T # 167 O95
0.57491144 0.73750969 0.21360133 F F F # 168 O96
0.76844632 0.26353884 0.57407855 T T T # 169 O97
0.92964478 0.23750969 0.27299237 F F F # 170 O98
0.74157811 0.09224302 0.27299237 F F F # 171 O99
0.90285539 0.06485081 0.57475479 T T T # 172 O100
0.77026202 0.26459743 0.45398575 T T T # 173 O101
0.92964478 0.23750969 0.39177446 F F F # 174 O102
0.74157811 0.09224302 0.39177446 F F F # 175 O103
0.90178640 0.06376150 0.45438789 T T T # 176 O104
0.76297811 0.25890969 0.33238342 F F F # 177 O105
0.93694517 0.22994833 0.51503213 T T T # 178 O106
0.73476600 0.09849920 0.51495346 T T T # 179 O107
0.90824478 0.07084302 0.33238342 F F F # 180 O108
0.76297811 0.25890969 0.21360133 F F F # 181 O109
0.93121951 0.23535909 0.63944962 T T T # 182 O110
0.74031014 0.09341397 0.63895182 T T T # 183 O111
0.90824478 0.07084302 0.21360133 F F F # 184 O112
0.77169593 0.59625554 0.57424295 T T T # 185 O113
0.92964478 0.57084302 0.27299237 F F F # 186 O114
0.74157811 0.42557635 0.27299237 F F F # 187 O115
0.90310287 0.39768835 0.57397950 T T T # 188 O116
0.77001359 0.59893907 0.45452158 T T T # 189 O117
0.92964478 0.57084302 0.39177446 F F F # 190 O118
0.74157811 0.42557635 0.39177446 F F F # 191 O119
0.90237690 0.39677175 0.45404924 T T T # 192 O120
0.76297811 0.59224302 0.33238342 F F F # 193 O121
0.93744635 0.56357561 0.51459048 T T T # 194 O122
0.73577865 0.43114961 0.51338025 T T T # 195 O123
0.90824478 0.40417635 0.33238342 F F F # 196 O124
0.76297811 0.59224302 0.21360133 F F F # 197 O125
0.93302542 0.56830020 0.63782579 T T T # 198 O126
0.74290542 0.42365877 0.63981913 T T T # 199 O127
0.90824478 0.40417635 0.21360133 F F F # 200 O128
0.76817071 0.93122824 0.57429939 T T T # 201 O129
0.92964478 0.90417635 0.27299237 F F F # 202 O130
0.74157811 0.75890969 0.27299237 F F F # 203 O131
0.90315203 0.73171428 0.57563042 T T T # 204 O132
0.76949731 0.93163443 0.45421734 T T T # 205 O133
0.92964478 0.90417635 0.39177446 F F F # 206 O134
0.74157811 0.75890969 0.39177446 F F F # 207 O135
0.90168609 0.73078668 0.45428721 T T T # 208 O136
0.76297811 0.92557635 0.33238342 F F F # 209 O137
0.93641240 0.89654434 0.51520353 T T T # 210 O138
0.73487782 0.76480798 0.51516054 T T T # 211 O139
0.90824478 0.73750969 0.33238342 F F F # 212 O140
0.76297811 0.92557635 0.21360133 F F F # 213 O141
0.93082263 0.90287911 0.63924649 T T T # 214 O142
0.74098880 0.76088566 0.63816455 T T T # 215 O143
0.90824478 0.73750969 0.21360133 F F F # 216 O144
0.50272846 0.66375248 0.70706863 T T T # 217 O885
0.46958348 0.67503497 0.81667384 T T T # 218 Si
0.67832404 0.64894070 0.78129472 T T T # 219 N
0.38279250 0.57862096 0.80770890 T T T # 220 C1
0.51033066 0.66569447 0.88429913 T T T # 221 C2
0.42163265 0.79600568 0.80184584 T T T # 222 C3
0.73668878 0.72724846 0.78029998 T T T # 223 C4
0.71175175 0.55660777 0.79014987 T T T # 224 C5
0.35913307 0.57929640 0.76736654 T T T # 225 H1
0.40915154 0.50661726 0.81779000 T T T # 226 H2
0.32291708 0.59035110 0.83252983 T T T # 227 H3
0.54038352 0.59569649 0.89311799 T T T # 228 H4
0.56136042 0.72171499 0.89140597 T T T # 229 H5
0.45404027 0.67382948 0.91102932 T T T # 230 H6
0.36294234 0.80501777 0.82491218 T T T # 231 H7
0.46773195 0.85365638 0.80891612 T T T # 232 H8
0.40216792 0.80365219 0.76239695 T T T # 233 H9
0.77113720 0.73471913 0.81118391 T T T # 234 H10
0.77795262 0.71360597 0.75264801 T T T # 235 H11
0.70855960 0.79565547 0.77498767 T T T # 236 H12
0.66490439 0.50025050 0.79090732 T T T # 237 H13
0.75462621 0.53562951 0.76324941 T T T # 238 H14
0.74477003 0.56028579 0.82207826 T T T # 239 H15
0.61832140 0.63357591 0.71922627 T T T # 240 H111