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
72 153 1 1 5 24
Selective dynamics
Direct
0.01065740 0.16944514 0.58459167 T T T # 1 Ti1
0.17590697 0.33410383 0.27145572 F F F # 2 Ti2
0.00934278 0.16520197 0.45690902 T T T # 3 Ti3
0.17590697 0.33410383 0.39023781 F F F # 4 Ti4
0.00924030 0.16743716 0.33084677 F F F # 5 Ti5
0.17290709 0.33090261 0.51081053 T T T # 6 Ti6
0.00924030 0.16743716 0.21206468 F F F # 7 Ti7
0.18481968 0.33893874 0.63044205 T T T # 8 Ti8
0.01344035 0.50607178 0.58295396 T T T # 9 Ti9
0.17590697 0.66743716 0.27145572 F F F # 10 Ti10
0.00853787 0.49875506 0.45656967 T T T # 11 Ti11
0.17590697 0.66743716 0.39023781 F F F # 12 Ti12
0.00924030 0.50077050 0.33084677 F F F # 13 Ti13
0.17432010 0.66509345 0.51001082 T T T # 14 Ti14
0.00924030 0.50077050 0.21206468 F F F # 15 Ti15
0.18343539 0.67969478 0.62883061 T T T # 16 Ti16
0.00339937 0.83030542 0.58235102 T T T # 17 Ti17
0.17590697 0.00077050 0.27145572 F F F # 18 Ti18
0.01166582 0.83578234 0.45647516 T T T # 19 Ti19
0.17590697 0.00077050 0.39023781 F F F # 20 Ti20
0.00924030 0.83410383 0.33084677 F F F # 21 Ti21
0.17810108 0.00214200 0.51088069 T T T # 22 Ti22
0.00924030 0.83410383 0.21206468 F F F # 23 Ti23
0.16136734 0.99022056 0.63081171 T T T # 24 Ti24
0.33763802 0.16020650 0.58336319 T T T # 25 Ti25
0.50924030 0.33410383 0.27145572 F F F # 26 Ti26
0.34289474 0.16784090 0.45682958 T T T # 27 Ti27
0.50924030 0.33410383 0.39023781 F F F # 28 Ti28
0.34257363 0.16743716 0.33084677 F F F # 29 Ti29
0.50874713 0.33363547 0.51014708 T T T # 30 Ti30
0.34257363 0.16743716 0.21206468 F F F # 31 Ti31
0.49485967 0.32372677 0.63041402 T T T # 32 Ti32
0.34218666 0.50197629 0.58549820 T T T # 33 Ti33
0.50924030 0.66743716 0.27145572 F F F # 34 Ti34
0.34128524 0.49923061 0.45770362 T T T # 35 Ti35
0.50924030 0.66743716 0.39023781 F F F # 36 Ti36
0.34257363 0.50077050 0.33084677 F F F # 37 Ti37
0.51015324 0.66870181 0.50879598 T T T # 38 Ti38
0.34257363 0.50077050 0.21206468 F F F # 39 Ti39
0.50468687 0.66960700 0.62744120 T T T # 40 Ti40
0.34581594 0.84201421 0.58300661 T T T # 41 Ti41
0.50924030 0.00077050 0.27145572 F F F # 42 Ti42
0.34178979 0.83192767 0.45667071 T T T # 43 Ti43
0.50924030 0.00077050 0.39023781 F F F # 44 Ti44
0.34257363 0.83410383 0.33084677 F F F # 45 Ti45
0.50684557 0.99781758 0.51023729 T T T # 46 Ti46
0.34257363 0.83410383 0.21206468 F F F # 47 Ti47
0.52221355 0.01430072 0.62938237 T T T # 48 Ti48
0.68157459 0.17377826 0.58178855 T T T # 49 Ti49
0.84257363 0.33410383 0.27145572 F F F # 50 Ti50
0.67420489 0.16508379 0.45633294 T T T # 51 Ti51
0.84257363 0.33410383 0.39023781 F F F # 52 Ti52
0.67590697 0.16743716 0.33084677 F F F # 53 Ti53
0.84169133 0.33042901 0.50925358 T T T # 54 Ti54
0.67590697 0.16743716 0.21206468 F F F # 55 Ti55
0.85470537 0.34575274 0.62800853 T T T # 56 Ti56
0.67119160 0.49028546 0.57892274 T T T # 57 Ti57
0.84257363 0.66743716 0.27145572 F F F # 58 Ti58
0.67571248 0.50168870 0.45562487 T T T # 59 Ti59
0.84257363 0.66743716 0.39023781 F F F # 60 Ti60
0.67590697 0.50077050 0.33084677 F F F # 61 Ti61
0.84472841 0.66899293 0.50833083 T T T # 62 Ti62
0.67590697 0.50077050 0.21206468 F F F # 63 Ti63
0.83243428 0.65642039 0.62525032 T T T # 64 Ti64
0.67633419 0.83363535 0.58570691 T T T # 65 Ti65
0.84257363 0.00077050 0.27145572 F F F # 66 Ti66
0.67746177 0.83533846 0.45768776 T T T # 67 Ti67
0.84257363 0.00077050 0.39023781 F F F # 68 Ti68
0.67590697 0.83410383 0.33084677 F F F # 69 Ti69
0.84299077 0.00066962 0.51141758 T T T # 70 Ti70
0.67590697 0.83410383 0.21206468 F F F # 71 Ti71
0.84171161 0.00420995 0.63037131 T T T # 72 Ti72
0.10899485 0.27011054 0.57161140 T T T # 73 O1
0.26994030 0.24007050 0.27145572 F F F # 74 O2
0.08187363 0.09480383 0.27145572 F F F # 75 O3
0.23815755 0.06383178 0.56994892 T T T # 76 O4
0.10989174 0.26774727 0.45133384 T T T # 77 O5
0.26994030 0.24007050 0.39023781 F F F # 78 O6
0.08187363 0.09480383 0.39023781 F F F # 79 O7
0.24108764 0.06610756 0.45118762 T T T # 80 O8
0.10327363 0.26147050 0.33084677 F F F # 81 O9
0.27466569 0.23205286 0.51055014 T T T # 82 O10
0.07478479 0.10065197 0.51104857 T T T # 83 O11
0.24854030 0.07340383 0.33084677 F F F # 84 O12
0.10327363 0.26147050 0.21206468 F F F # 85 O13
0.26493471 0.22940617 0.63048012 T T T # 86 O14
0.08380066 0.10175389 0.63194598 T T T # 87 O15
0.24854030 0.07340383 0.21206468 F F F # 88 O16
0.11438944 0.60236206 0.57076419 T T T # 89 O17
0.26994030 0.57340383 0.27145572 F F F # 90 O18
0.08187363 0.42813716 0.27145572 F F F # 91 O19
0.24497559 0.39943683 0.57245991 T T T # 92 O20
0.11114382 0.60149245 0.45123215 T T T # 93 O21
0.26994030 0.57340383 0.39023781 F F F # 94 O22
0.08187363 0.42813716 0.39023781 F F F # 95 O23
0.24166797 0.40006066 0.45130876 T T T # 96 O24
0.10327363 0.59480383 0.33084677 F F F # 97 O25
0.27811003 0.56777860 0.51169168 T T T # 98 O26
0.07701478 0.43574877 0.51052983 T T T # 99 O27
0.24854030 0.40673716 0.33084677 F F F # 100 O28
0.10327363 0.59480383 0.21206468 F F F # 101 O29
0.26927037 0.56868819 0.63238442 T T T # 102 O30
0.07474380 0.42762682 0.62937552 T T T # 103 O31
0.24854030 0.40673716 0.21206468 F F F # 104 O32
0.10652012 0.93059407 0.57133628 T T T # 105 O33
0.26994030 0.90673716 0.27145572 F F F # 106 O34
0.08187363 0.76147050 0.27145572 F F F # 107 O35
0.24425166 0.73856067 0.57185646 T T T # 108 O36
0.10915377 0.93412979 0.45049180 T T T # 109 O37
0.26994030 0.90673716 0.39023781 F F F # 110 O38
0.08187363 0.76147050 0.39023781 F F F # 111 O39
0.24266571 0.73367302 0.45086010 T T T # 112 O40
0.10327363 0.92813716 0.33084677 F F F # 113 O41
0.27732289 0.90043036 0.51044277 T T T # 114 O42
0.07475796 0.76668010 0.50996372 T T T # 115 O43
0.24854030 0.74007050 0.33084677 F F F # 116 O44
0.10327363 0.92813716 0.21206468 F F F # 117 O45
0.27931152 0.91543909 0.62907891 T T T # 118 O46
0.07052136 0.75573211 0.62930802 T T T # 119 O47
0.24854030 0.74007050 0.21206468 F F F # 120 O48
0.43858538 0.26328271 0.57170570 T T T # 121 O49
0.60327363 0.24007050 0.27145572 F F F # 122 O50
0.41520697 0.09480383 0.27145572 F F F # 123 O51
0.57826475 0.07129040 0.57083263 T T T # 124 O52
0.44190059 0.26713760 0.45054964 T T T # 125 O53
0.60327363 0.24007050 0.39023781 F F F # 126 O54
0.41520697 0.09480383 0.39023781 F F F # 127 O55
0.57601060 0.06678169 0.45059196 T T T # 128 O56
0.43660697 0.26147050 0.33084677 F F F # 129 O57
0.61016130 0.23420155 0.50986445 T T T # 130 O58
0.40799833 0.09999303 0.51030818 T T T # 131 O59
0.58187363 0.07340383 0.33084677 F F F # 132 O60
0.43660697 0.26147050 0.21206468 F F F # 133 O61
0.61473587 0.25065395 0.62617805 T T T # 134 O62
0.40589287 0.08653168 0.62985174 T T T # 135 O63
0.58187363 0.07340383 0.21206468 F F F # 136 O64
0.44361380 0.60227375 0.57318994 T T T # 137 O65
0.60327363 0.57340383 0.27145572 F F F # 138 O66
0.41520697 0.42813716 0.27145572 F F F # 139 O67
0.56876825 0.39887260 0.57012849 T T T # 140 O68
0.44354106 0.60180330 0.45151326 T T T # 141 O69
0.60327363 0.57340383 0.39023781 F F F # 142 O70
0.41520697 0.42813716 0.39023781 F F F # 143 O71
0.57381225 0.39921399 0.45130484 T T T # 144 O72
0.43660697 0.59480383 0.33084677 F F F # 145 O73
0.60844938 0.56517507 0.51001792 T T T # 146 O74
0.40791242 0.43375346 0.51084484 T T T # 147 O75
0.58187363 0.40673716 0.33084677 F F F # 148 O76
0.43660697 0.59480383 0.21206468 F F F # 149 O77
0.61243853 0.57017711 0.63314795 T T T # 150 O78
0.41684198 0.43452907 0.63331403 T T T # 151 O79
0.58187363 0.40673716 0.21206468 F F F # 152 O80
0.44764022 0.93669736 0.57036590 T T T # 153 O81
0.60327363 0.90673716 0.27145572 F F F # 154 O82
0.41520697 0.76147050 0.27145572 F F F # 155 O83
0.57685429 0.73135960 0.57244533 T T T # 156 O84
0.44387818 0.93461187 0.45106680 T T T # 157 O85
0.60327363 0.90673716 0.39023781 F F F # 158 O86
0.41520697 0.76147050 0.39023781 F F F # 159 O87
0.57547598 0.73339952 0.45144342 T T T # 160 O88
0.43660697 0.92813716 0.33084677 F F F # 161 O89
0.61075966 0.90040176 0.51145623 T T T # 162 O90
0.41029411 0.76855627 0.51050702 T T T # 163 O91
0.58187363 0.74007050 0.33084677 F F F # 164 O92
0.43660697 0.92813716 0.21206468 F F F # 165 O93
0.60170497 0.90024692 0.63229607 T T T # 166 O94
0.41651363 0.77077420 0.63139400 T T T # 167 O95
0.58187363 0.74007050 0.21206468 F F F # 168 O96
0.78277440 0.26889121 0.56980907 T T T # 169 O97
0.93660697 0.24007050 0.27145572 F F F # 170 O98
0.74854030 0.09480383 0.27145572 F F F # 171 O99
0.91009047 0.06711920 0.57227839 T T T # 172 O100
0.77716483 0.26812375 0.45077314 T T T # 173 O101
0.93660697 0.24007050 0.39023781 F F F # 174 O102
0.74854030 0.09480383 0.39023781 F F F # 175 O103
0.90883888 0.06641700 0.45145569 T T T # 176 O104
0.76994030 0.26147050 0.33084677 F F F # 177 O105
0.94456149 0.23421558 0.51066804 T T T # 178 O106
0.74365997 0.10229559 0.51016800 T T T # 179 O107
0.91520697 0.07340383 0.33084677 F F F # 180 O108
0.76994030 0.26147050 0.21206468 F F F # 181 O109
0.93747474 0.23822234 0.63192569 T T T # 182 O110
0.74608634 0.10071083 0.63147600 T T T # 183 O111
0.91520697 0.07340383 0.21206468 F F F # 184 O112
0.77550560 0.59610098 0.56909346 T T T # 185 O113
0.93660697 0.57340383 0.27145572 F F F # 186 O114
0.74854030 0.42813716 0.27145572 F F F # 187 O115
0.90931290 0.40615824 0.56978225 T T T # 188 O116
0.77562732 0.60077588 0.45032605 T T T # 189 O117
0.93660697 0.57340383 0.39023781 F F F # 190 O118
0.74854030 0.42813716 0.39023781 F F F # 191 O119
0.90935480 0.40044689 0.45051063 T T T # 192 O120
0.76994030 0.59480383 0.33084677 F F F # 193 O121
0.94442326 0.56802828 0.50973099 T T T # 194 O122
0.74001588 0.43335237 0.50982834 T T T # 195 O123
0.91520697 0.40673716 0.33084677 F F F # 196 O124
0.76994030 0.59480383 0.21206468 F F F # 197 O125
0.94615795 0.58041983 0.63068277 T T T # 198 O126
0.73737219 0.42024278 0.62623444 T T T # 199 O127
0.91520697 0.40673716 0.21206468 F F F # 200 O128
0.77430805 0.93602246 0.57250301 T T T # 201 O129
0.93660697 0.90673716 0.27145572 F F F # 202 O130
0.74854030 0.76147050 0.27145572 F F F # 203 O131
0.90362780 0.73116647 0.56962261 T T T # 204 O132
0.77667859 0.93509693 0.45152918 T T T # 205 O133
0.93660697 0.90673716 0.39023781 F F F # 206 O134
0.74854030 0.76147050 0.39023781 F F F # 207 O135
0.90818841 0.73343478 0.45043271 T T T # 208 O136
0.76994030 0.92813716 0.33084677 F F F # 209 O137
0.94148495 0.89901870 0.51035816 T T T # 210 O138
0.74133792 0.76732433 0.51101553 T T T # 211 O139
0.91520697 0.74007050 0.33084677 F F F # 212 O140
0.76994030 0.92813716 0.21206468 F F F # 213 O141
0.93406052 0.90078573 0.62893111 T T T # 214 O142
0.74822221 0.76326527 0.63389202 T T T # 215 O143
0.91520697 0.74007050 0.21206468 F F F # 216 O144
0.49044953 0.64922078 0.70514569 T T T # 217 O885
0.20795147 0.37291318 0.70101620 T T T # 218 O146
0.21444789 0.71954206 0.69887006 T T T # 219 O293
0.12797277 0.93681675 0.69588897 T T T # 220 O441
0.47339407 0.26690360 0.69582953 T T T # 221 O590
0.56067099 0.06550145 0.69590750 T T T # 222 O740
0.87703613 0.40180669 0.69655644 T T T # 223 O891
0.78180558 0.58823577 0.69170565 T T T # 224 O1043
0.84889200 0.00002472 0.70162182 T T T # 225 O1196
0.45684461 0.68913499 0.81619742 T T T # 226 Si
0.57151406 0.67821519 0.77524983 T T T # 227 N
0.39004394 0.57405120 0.80705174 T T T # 228 C1
0.49949095 0.70168461 0.88784509 T T T # 229 C2
0.39575758 0.79945000 0.79141719 T T T # 230 C3
0.61934568 0.76428914 0.76102589 T T T # 231 C4
0.62444583 0.59641164 0.78346102 T T T # 232 C5
0.37470825 0.55757486 0.76491522 T T T # 233 H1
0.42802725 0.51291059 0.82409643 T T T # 234 H2
0.32148974 0.57935990 0.82798360 T T T # 235 H3
0.53726339 0.63706899 0.90219417 T T T # 236 H4
0.54666812 0.76423724 0.89370191 T T T # 237 H5
0.43631994 0.71183149 0.91401299 T T T # 238 H6
0.32254321 0.80219631 0.80840665 T T T # 239 H7
0.43323016 0.86542127 0.80386791 T T T # 240 H8
0.38908245 0.79942996 0.74723297 T T T # 241 H9
0.67248977 0.76849096 0.77483815 T T T # 242 H10
0.62962505 0.76187858 0.72895613 T T T # 243 H11
0.59840394 0.82738841 0.76569139 T T T # 244 H12
0.59089597 0.53246936 0.79114977 T T T # 245 H13
0.68216379 0.57056355 0.71657615 T T T # 246 H14
0.67388638 0.60240634 0.79929109 T T T # 247 H15
0.59693258 0.57627964 0.68284232 T T T # 248 H111
0.19719209 0.43588193 0.70883330 T T T # 249 H17
0.27600996 0.69659558 0.71064220 T T T # 250 H35
0.15269610 0.87260260 0.70560652 T T T # 251 H54
0.50028067 0.20240782 0.70399535 T T T # 252 H74
0.62964537 0.06512505 0.70208526 T T T # 253 H95
0.94213976 0.39455821 0.70989332 T T T # 254 H117
0.81552674 0.52487205 0.69711616 T T T # 255 H140
0.90208700 0.96375572 0.71630506 T T T # 256 H164