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 0.99945941 0.16262323 0.59330716 T T T # 1 Ti1 0.16541566 0.32975272 0.27555990 F F F # 2 Ti2 0.99783466 0.16391303 0.46277933 T T T # 3 Ti3 0.16541566 0.32975272 0.39434199 F F F # 4 Ti4 0.99874899 0.16308605 0.33495095 F F F # 5 Ti5 0.16575899 0.33094985 0.51008528 T T T # 6 Ti6 0.99874899 0.16308605 0.21616886 F F F # 7 Ti7 0.16650845 0.33035386 0.62583495 T T T # 8 Ti8 0.00037360 0.49430584 0.59136521 T T T # 9 Ti9 0.16541566 0.66308605 0.27555990 F F F # 10 Ti10 0.99798411 0.49740976 0.46261051 T T T # 11 Ti11 0.16541566 0.66308605 0.39434199 F F F # 12 Ti12 0.99874899 0.49641939 0.33495095 F F F # 13 Ti13 0.16409203 0.66397870 0.51009708 T T T # 14 Ti14 0.99874899 0.49641939 0.21616886 F F F # 15 Ti15 0.16506917 0.66309425 0.62578533 T T T # 16 Ti16 0.99701010 0.82859668 0.59341347 T T T # 17 Ti17 0.16541566 0.99641939 0.27555990 F F F # 18 Ti18 0.99714775 0.83049098 0.46317415 T T T # 19 Ti19 0.16541566 0.99641939 0.39434199 F F F # 20 Ti20 0.99874899 0.82975272 0.33495095 F F F # 21 Ti21 0.16331743 0.99776092 0.50999050 T T T # 22 Ti22 0.99874899 0.82975272 0.21616886 F F F # 23 Ti23 0.16477134 0.99570989 0.62607597 T T T # 24 Ti24 0.33127803 0.16277442 0.59286797 T T T # 25 Ti25 0.49874899 0.32975272 0.27555990 F F F # 26 Ti26 0.33119673 0.16402254 0.46277355 T T T # 27 Ti27 0.49874899 0.32975272 0.39434199 F F F # 28 Ti28 0.33208232 0.16308605 0.33495095 F F F # 29 Ti29 0.49778163 0.33085258 0.51005047 T T T # 30 Ti30 0.33208232 0.16308605 0.21616886 F F F # 31 Ti31 0.49853026 0.32914119 0.62592361 T T T # 32 Ti32 0.33542420 0.49966499 0.59370045 T T T # 33 Ti33 0.49874899 0.66308605 0.27555990 F F F # 34 Ti34 0.33226217 0.49858792 0.46344784 T T T # 35 Ti35 0.49874899 0.66308605 0.39434199 F F F # 36 Ti36 0.33208232 0.49641939 0.33495095 F F F # 37 Ti37 0.49712619 0.66339643 0.51400862 T T T # 38 Ti38 0.33208232 0.49641939 0.21616886 F F F # 39 Ti39 0.50032047 0.66464491 0.63561348 T T T # 40 Ti40 0.32837478 0.83266360 0.58976655 T T T # 41 Ti41 0.49874899 0.99641939 0.27555990 F F F # 42 Ti42 0.33136542 0.83019375 0.46213258 T T T # 43 Ti43 0.49874899 0.99641939 0.39434199 F F F # 44 Ti44 0.33208232 0.82975272 0.33495095 F F F # 45 Ti45 0.49757781 0.99738422 0.51008124 T T T # 46 Ti46 0.33208232 0.82975272 0.21616886 F F F # 47 Ti47 0.49780344 0.99658524 0.62606218 T T T # 48 Ti48 0.66493639 0.16273419 0.59246438 T T T # 49 Ti49 0.83208232 0.32975272 0.27555990 F F F # 50 Ti50 0.66437666 0.16366726 0.46278033 T T T # 51 Ti51 0.83208232 0.32975272 0.39434199 F F F # 52 Ti52 0.66541566 0.16308605 0.33495095 F F F # 53 Ti53 0.83185460 0.32968091 0.50975101 T T T # 54 Ti54 0.66541566 0.16308605 0.21616886 F F F # 55 Ti55 0.83251092 0.32832387 0.62567243 T T T # 56 Ti56 0.66887418 0.49265518 0.58993088 T T T # 57 Ti57 0.83208232 0.66308605 0.27555990 F F F # 58 Ti58 0.66459875 0.49832822 0.46233488 T T T # 59 Ti59 0.83208232 0.66308605 0.39434199 F F F # 60 Ti60 0.66541566 0.49641939 0.33495095 F F F # 61 Ti61 0.83164724 0.66465297 0.51140316 T T T # 62 Ti62 0.66541566 0.49641939 0.21616886 F F F # 63 Ti63 0.83073534 0.66025731 0.62909662 T T T # 64 Ti64 0.66116563 0.82938546 0.59225416 T T T # 65 Ti65 0.83208232 0.99641939 0.27555990 F F F # 66 Ti66 0.66321196 0.82878130 0.46304203 T T T # 67 Ti67 0.83208232 0.99641939 0.39434199 F F F # 68 Ti68 0.66541566 0.82975272 0.33495095 F F F # 69 Ti69 0.83022394 0.99649733 0.51001624 T T T # 70 Ti70 0.66541566 0.82975272 0.21616886 F F F # 71 Ti71 0.83117998 0.99642330 0.62570929 T T T # 72 Ti72 0.09856508 0.26244088 0.57722085 T T T # 73 O1 0.25944899 0.23571939 0.27555990 F F F # 74 O2 0.07138232 0.09045272 0.27555990 F F F # 75 O3 0.23184769 0.06343636 0.57683157 T T T # 76 O4 0.09955949 0.26380722 0.45687346 T T T # 77 O5 0.25944899 0.23571939 0.39434199 F F F # 78 O6 0.07138232 0.09045272 0.39434199 F F F # 79 O7 0.23060839 0.06284228 0.45670420 T T T # 80 O8 0.09278232 0.25711939 0.33495095 F F F # 81 O9 0.26603923 0.22910453 0.51745651 T T T # 82 O10 0.06403017 0.09760544 0.51765264 T T T # 83 O11 0.23804899 0.06905272 0.33495095 F F F # 84 O12 0.09278232 0.25711939 0.21616886 F F F # 85 O13 0.26043481 0.23376829 0.64172811 T T T # 86 O14 0.06960980 0.09187256 0.64219229 T T T # 87 O15 0.23804899 0.06905272 0.21616886 F F F # 88 O16 0.09891585 0.59540425 0.57658298 T T T # 89 O17 0.25944899 0.56905272 0.27555990 F F F # 90 O18 0.07138232 0.42378605 0.27555990 F F F # 91 O19 0.23284467 0.39716858 0.57689704 T T T # 92 O20 0.09923061 0.59691562 0.45646099 T T T # 93 O21 0.25944899 0.56905272 0.39434199 F F F # 94 O22 0.07138232 0.42378605 0.39434199 F F F # 95 O23 0.23158512 0.39616025 0.45672924 T T T # 96 O24 0.09278232 0.59045272 0.33495095 F F F # 97 O25 0.26634524 0.56308901 0.51766314 T T T # 98 O26 0.06453116 0.43073990 0.51720467 T T T # 99 O27 0.23804899 0.40238605 0.33495095 F F F # 100 O28 0.09278232 0.59045272 0.21616886 F F F # 101 O29 0.25908751 0.56859867 0.64219975 T T T # 102 O30 0.07071232 0.42383808 0.64157865 T T T # 103 O31 0.23804899 0.40238605 0.21616886 F F F # 104 O32 0.09729238 0.92896166 0.57691296 T T T # 105 O33 0.25944899 0.90238605 0.27555990 F F F # 106 O34 0.07138232 0.75711939 0.27555990 F F F # 107 O35 0.22863015 0.73128203 0.57588173 T T T # 108 O36 0.09849298 0.93080857 0.45663722 T T T # 109 O37 0.25944899 0.90238605 0.39434199 F F F # 110 O38 0.07138232 0.75711939 0.39434199 F F F # 111 O39 0.23093757 0.72932123 0.45662820 T T T # 112 O40 0.09278232 0.92378605 0.33495095 F F F # 113 O41 0.26512679 0.89626638 0.51611167 T T T # 114 O42 0.06311948 0.76350250 0.51735013 T T T # 115 O43 0.23804899 0.73571939 0.33495095 F F F # 116 O44 0.09278232 0.92378605 0.21616886 F F F # 117 O45 0.25806948 0.90319582 0.64221153 T T T # 118 O46 0.06953877 0.75796548 0.64227738 T T T # 119 O47 0.23804899 0.73571939 0.21616886 F F F # 120 O48 0.43074874 0.26206273 0.57709536 T T T # 121 O49 0.59278232 0.23571939 0.27555990 F F F # 122 O50 0.40471566 0.09045272 0.27555990 F F F # 123 O51 0.56534086 0.06391135 0.57691256 T T T # 124 O52 0.43219846 0.26384972 0.45658185 T T T # 125 O53 0.59278232 0.23571939 0.39434199 F F F # 126 O54 0.40471566 0.09045272 0.39434199 F F F # 127 O55 0.56459855 0.06238780 0.45655022 T T T # 128 O56 0.42611566 0.25711939 0.33495095 F F F # 129 O57 0.59901507 0.22853695 0.51710654 T T T # 130 O58 0.39757349 0.09776607 0.51707910 T T T # 131 O59 0.57138232 0.06905272 0.33495095 F F F # 132 O60 0.42611566 0.25711939 0.21616886 F F F # 133 O61 0.59350989 0.23339820 0.64152175 T T T # 134 O62 0.40252706 0.09226190 0.64176128 T T T # 135 O63 0.57138232 0.06905272 0.21616886 F F F # 136 O64 0.43130357 0.59555922 0.58114765 T T T # 137 O65 0.59278232 0.56905272 0.27555990 F F F # 138 O66 0.40471566 0.42378605 0.27555990 F F F # 139 O67 0.56625949 0.39322094 0.57610667 T T T # 140 O68 0.43313113 0.59779762 0.45821129 T T T # 141 O69 0.59278232 0.56905272 0.39434199 F F F # 142 O70 0.40471566 0.42378605 0.39434199 F F F # 143 O71 0.56444640 0.39596161 0.45670077 T T T # 144 O72 0.42611566 0.59045272 0.33495095 F F F # 145 O73 0.59981324 0.56179249 0.51753958 T T T # 146 O74 0.39814353 0.43122711 0.51789386 T T T # 147 O75 0.57138232 0.40238605 0.33495095 F F F # 148 O76 0.42611566 0.59045272 0.21616886 F F F # 149 O77 0.59805289 0.56178675 0.63496238 T T T # 150 O78 0.40369980 0.42345637 0.64219659 T T T # 151 O79 0.57138232 0.40238605 0.21616886 F F F # 152 O80 0.43047497 0.93190309 0.57613766 T T T # 153 O81 0.59278232 0.90238605 0.27555990 F F F # 154 O82 0.40471566 0.75711939 0.27555990 F F F # 155 O83 0.56496600 0.73111263 0.58068724 T T T # 156 O84 0.43242727 0.93056239 0.45661758 T T T # 157 O85 0.59278232 0.90238605 0.39434199 F F F # 158 O86 0.40471566 0.75711939 0.39434199 F F F # 159 O87 0.56374815 0.72836354 0.45846271 T T T # 160 O88 0.42611566 0.92378605 0.33495095 F F F # 161 O89 0.59877330 0.89570813 0.51734857 T T T # 162 O90 0.39684151 0.76431502 0.51729216 T T T # 163 O91 0.57138232 0.73571939 0.33495095 F F F # 164 O92 0.42611566 0.92378605 0.21616886 F F F # 165 O93 0.59252015 0.90416604 0.64233789 T T T # 166 O94 0.39665756 0.76110136 0.63474664 T T T # 167 O95 0.57138232 0.73571939 0.21616886 F F F # 168 O96 0.76475429 0.26165379 0.57647956 T T T # 169 O97 0.92611566 0.23571939 0.27555990 F F F # 170 O98 0.73804899 0.09045272 0.27555990 F F F # 171 O99 0.89937043 0.06363263 0.57723513 T T T # 172 O100 0.76616007 0.26330730 0.45643111 T T T # 173 O101 0.92611566 0.23571939 0.39434199 F F F # 174 O102 0.73804899 0.09045272 0.39434199 F F F # 175 O103 0.89803000 0.06229524 0.45683630 T T T # 176 O104 0.75944899 0.25711939 0.33495095 F F F # 177 O105 0.93266893 0.22892138 0.51717408 T T T # 178 O106 0.73062845 0.09743684 0.51736687 T T T # 179 O107 0.90471566 0.06905272 0.33495095 F F F # 180 O108 0.75944899 0.25711939 0.21616886 F F F # 181 O109 0.92783330 0.23334956 0.64208942 T T T # 182 O110 0.73653112 0.09210368 0.64146311 T T T # 183 O111 0.90471566 0.06905272 0.21616886 F F F # 184 O112 0.76750561 0.59441007 0.57749554 T T T # 185 O113 0.92611566 0.56905272 0.27555990 F F F # 186 O114 0.73804899 0.42378605 0.27555990 F F F # 187 O115 0.89956955 0.39536323 0.57631861 T T T # 188 O116 0.76626451 0.59777904 0.45743378 T T T # 189 O117 0.92611566 0.56905272 0.39434199 F F F # 190 O118 0.73804899 0.42378605 0.39434199 F F F # 191 O119 0.89828433 0.39551694 0.45652701 T T T # 192 O120 0.75944899 0.59045272 0.33495095 F F F # 193 O121 0.93324012 0.56239703 0.51709131 T T T # 194 O122 0.73149735 0.42999717 0.51624480 T T T # 195 O123 0.90471566 0.40238605 0.33495095 F F F # 196 O124 0.75944899 0.59045272 0.21616886 F F F # 197 O125 0.93044708 0.56563661 0.63923066 T T T # 198 O126 0.73949953 0.42129659 0.64228525 T T T # 199 O127 0.90471566 0.40238605 0.21616886 F F F # 200 O128 0.76425964 0.93093377 0.57649672 T T T # 201 O129 0.92611566 0.90238605 0.27555990 F F F # 202 O130 0.73804899 0.75711939 0.27555990 F F F # 203 O131 0.89924667 0.72998597 0.57937138 T T T # 204 O132 0.76555132 0.93025588 0.45668551 T T T # 205 O133 0.92611566 0.90238605 0.39434199 F F F # 206 O134 0.73804899 0.75711939 0.39434199 F F F # 207 O135 0.89763492 0.72930406 0.45705828 T T T # 208 O136 0.75944899 0.92378605 0.33495095 F F F # 209 O137 0.93195469 0.89526887 0.51781037 T T T # 210 O138 0.73070770 0.76386980 0.51770865 T T T # 211 O139 0.90471566 0.73571939 0.33495095 F F F # 212 O140 0.75944899 0.92378605 0.21616886 F F F # 213 O141 0.92656356 0.90154272 0.64222350 T T T # 214 O142 0.73627200 0.76132618 0.63879680 T T T # 215 O143 0.90471566 0.73571939 0.21616886 F F F # 216 O144 0.50918521 0.67325923 0.70961556 T T T # 217 O885 0.46393853 0.69486393 0.78530349 T T T # 218 Si 0.76265854 0.65132230 0.74096350 T T T # 219 N 0.36215244 0.61034049 0.78942029 T T T # 220 C1 0.53828160 0.67451299 0.84433052 T T T # 221 C2 0.42514990 0.82284974 0.78108121 T T T # 222 C3 0.82427478 0.72570730 0.75794749 T T T # 223 C4 0.77754075 0.55720347 0.76184761 T T T # 224 C5 0.32096429 0.61411196 0.75301154 T T T # 225 H1 0.38469415 0.53530599 0.79527639 T T T # 226 H2 0.31597050 0.62806202 0.82228449 T T T # 227 H3 0.56415178 0.60057287 0.84620429 T T T # 228 H4 0.59811706 0.72422523 0.84418192 T T T # 229 H5 0.49856840 0.68573526 0.88008026 T T T # 230 H6 0.38423549 0.83964501 0.81480209 T T T # 231 H7 0.48344615 0.87230769 0.77905791 T T T # 232 H8 0.38346844 0.83615681 0.74657762 T T T # 233 H9 0.82442892 0.73337071 0.79711871 T T T # 234 H10 0.88844062 0.70578681 0.74595083 T T T # 235 H11 0.80924965 0.79531135 0.74272877 T T T # 236 H12 0.72851782 0.50481477 0.74895391 T T T # 237 H13 0.84106804 0.53152932 0.75010371 T T T # 238 H14 0.77644661 0.56275208 0.80132211 T T T # 239 H15 0.69590748 0.66259609 0.72132842 T T T # 240 H111