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
0.00260195 0.16554766 0.58989913 T T T # 1 Ti1
0.16982706 0.33199060 0.27235048 F F F # 2 Ti2
0.00455593 0.16390189 0.45948157 T T T # 3 Ti3
0.16982706 0.33199060 0.39113257 F F F # 4 Ti4
0.00316039 0.16532393 0.33174153 F F F # 5 Ti5
0.17258841 0.33088758 0.50686501 T T T # 6 Ti6
0.00316039 0.16532393 0.21295944 F F F # 7 Ti7
0.17048271 0.33209232 0.62271000 T T T # 8 Ti8
0.00394692 0.49738860 0.58885178 T T T # 9 Ti9
0.16982706 0.66532393 0.27235048 F F F # 10 Ti10
0.00513792 0.49691921 0.45946599 T T T # 11 Ti11
0.16982706 0.66532393 0.39113257 F F F # 12 Ti12
0.00316039 0.49865727 0.33174153 F F F # 13 Ti13
0.17154961 0.66334806 0.50690126 T T T # 14 Ti14
0.00316039 0.49865727 0.21295944 F F F # 15 Ti15
0.16957374 0.66531780 0.62278215 T T T # 16 Ti16
0.00253304 0.83156178 0.58956446 T T T # 17 Ti17
0.16982706 0.99865727 0.27235048 F F F # 18 Ti18
0.00439578 0.83016641 0.45969995 T T T # 19 Ti19
0.16982706 0.99865727 0.39113257 F F F # 20 Ti20
0.00316039 0.83199060 0.33174153 F F F # 21 Ti21
0.17016287 0.99794294 0.50664612 T T T # 22 Ti22
0.00316039 0.83199060 0.21295944 F F F # 23 Ti23
0.16878193 0.99918342 0.62277929 T T T # 24 Ti24
0.33613156 0.16499532 0.58929305 T T T # 25 Ti25
0.50316039 0.33199060 0.27235048 F F F # 26 Ti26
0.33833022 0.16375262 0.45949593 T T T # 27 Ti27
0.50316039 0.33199060 0.39113257 F F F # 28 Ti28
0.33649372 0.16532393 0.33174153 F F F # 29 Ti29
0.50478840 0.33033173 0.50685776 T T T # 30 Ti30
0.33649372 0.16532393 0.21295944 F F F # 31 Ti31
0.50332692 0.33120581 0.62271945 T T T # 32 Ti32
0.33913745 0.50084942 0.59060207 T T T # 33 Ti33
0.50316039 0.66532393 0.27235048 F F F # 34 Ti34
0.33956160 0.49823460 0.46012358 T T T # 35 Ti35
0.50316039 0.66532393 0.39113257 F F F # 36 Ti36
0.33649372 0.49865727 0.33174153 F F F # 37 Ti37
0.50502461 0.66377204 0.51053036 T T T # 38 Ti38
0.33649372 0.49865727 0.21295944 F F F # 39 Ti39
0.50001495 0.66702573 0.63186903 T T T # 40 Ti40
0.33200872 0.83616181 0.58638135 T T T # 41 Ti41
0.50316039 0.99865727 0.27235048 F F F # 42 Ti42
0.33855240 0.82979676 0.45891097 T T T # 43 Ti43
0.50316039 0.99865727 0.39113257 F F F # 44 Ti44
0.33649372 0.83199060 0.33174153 F F F # 45 Ti45
0.50502178 0.99668469 0.50687397 T T T # 46 Ti46
0.33649372 0.83199060 0.21295944 F F F # 47 Ti47
0.50256392 0.99850068 0.62283410 T T T # 48 Ti48
0.66997108 0.16468793 0.58930941 T T T # 49 Ti49
0.83649372 0.33199060 0.27235048 F F F # 50 Ti50
0.67140344 0.16336115 0.45955392 T T T # 51 Ti51
0.83649372 0.33199060 0.39113257 F F F # 52 Ti52
0.66982706 0.16532393 0.33174153 F F F # 53 Ti53
0.83850933 0.32979543 0.50664601 T T T # 54 Ti54
0.66982706 0.16532393 0.21295944 F F F # 55 Ti55
0.83618483 0.33168706 0.62270579 T T T # 56 Ti56
0.67221917 0.49620626 0.58692626 T T T # 57 Ti57
0.83649372 0.66532393 0.27235048 F F F # 58 Ti58
0.67132431 0.49756888 0.45890704 T T T # 59 Ti59
0.83649372 0.66532393 0.39113257 F F F # 60 Ti60
0.66982706 0.49865727 0.33174153 F F F # 61 Ti61
0.83849044 0.66378716 0.50737488 T T T # 62 Ti62
0.66982706 0.49865727 0.21295944 F F F # 63 Ti63
0.83632266 0.66384860 0.62390797 T T T # 64 Ti64
0.66623182 0.82932393 0.59008708 T T T # 65 Ti65
0.83649372 0.99865727 0.27235048 F F F # 66 Ti66
0.67059603 0.82885122 0.45999525 T T T # 67 Ti67
0.83649372 0.99865727 0.39113257 F F F # 68 Ti68
0.66982706 0.83199060 0.33174153 F F F # 69 Ti69
0.83731608 0.99619728 0.50692389 T T T # 70 Ti70
0.66982706 0.83199060 0.21295944 F F F # 71 Ti71
0.83560884 0.99775326 0.62265421 T T T # 72 Ti72
0.10308580 0.26427479 0.57406261 T T T # 73 O1
0.26386039 0.23795727 0.27235048 F F F # 74 O2
0.07579372 0.09269060 0.27235048 F F F # 75 O3
0.23653902 0.06579802 0.57351766 T T T # 76 O4
0.10429246 0.26567947 0.45377531 T T T # 77 O5
0.26386039 0.23795727 0.39113257 F F F # 78 O6
0.07579372 0.09269060 0.39113257 F F F # 79 O7
0.23577354 0.06454996 0.45349615 T T T # 80 O8
0.09719372 0.25935727 0.33174153 F F F # 81 O9
0.27144603 0.23061425 0.51439656 T T T # 82 O10
0.06927563 0.09893110 0.51405976 T T T # 83 O11
0.24246039 0.07129060 0.33174153 F F F # 84 O12
0.09719372 0.25935727 0.21295944 F F F # 85 O13
0.26503874 0.23571615 0.63821976 T T T # 86 O14
0.07381313 0.09432411 0.63879880 T T T # 87 O15
0.24246039 0.07129060 0.21295944 F F F # 88 O16
0.10311443 0.59750397 0.57374774 T T T # 89 O17
0.26386039 0.57129060 0.27235048 F F F # 90 O18
0.07579372 0.42602393 0.27235048 F F F # 91 O19
0.23737185 0.39872369 0.57389784 T T T # 92 O20
0.10423296 0.59867213 0.45339365 T T T # 93 O21
0.26386039 0.57129060 0.39113257 F F F # 94 O22
0.07579372 0.42602393 0.39113257 F F F # 95 O23
0.23646724 0.39792339 0.45358963 T T T # 96 O24
0.09719372 0.59269060 0.33174153 F F F # 97 O25
0.27138717 0.56416113 0.51462654 T T T # 98 O26
0.06966656 0.43237329 0.51427839 T T T # 99 O27
0.24246039 0.40462393 0.33174153 F F F # 100 O28
0.09719372 0.59269060 0.21295944 F F F # 101 O29
0.26347039 0.56993910 0.63891530 T T T # 102 O30
0.07469038 0.42627129 0.63826293 T T T # 103 O31
0.24246039 0.40462393 0.21295944 F F F # 104 O32
0.10216936 0.93146761 0.57361969 T T T # 105 O33
0.26386039 0.90462393 0.27235048 F F F # 106 O34
0.07579372 0.75935727 0.27235048 F F F # 107 O35
0.23414650 0.73281752 0.57300474 T T T # 108 O36
0.10364427 0.93250928 0.45344270 T T T # 109 O37
0.26386039 0.90462393 0.39113257 F F F # 110 O38
0.07579372 0.75935727 0.39113257 F F F # 111 O39
0.23600072 0.73098034 0.45354316 T T T # 112 O40
0.09719372 0.92602393 0.33174153 F F F # 113 O41
0.27056112 0.89761661 0.51338939 T T T # 114 O42
0.06875801 0.76527187 0.51401781 T T T # 115 O43
0.24246039 0.73795727 0.33174153 F F F # 116 O44
0.09719372 0.92602393 0.21295944 F F F # 117 O45
0.26246474 0.90569787 0.63861683 T T T # 118 O46
0.07423950 0.76028504 0.63855463 T T T # 119 O47
0.24246039 0.73795727 0.21295944 F F F # 120 O48
0.43592078 0.26390495 0.57381304 T T T # 121 O49
0.59719372 0.23795727 0.27235048 F F F # 122 O50
0.40912706 0.09269060 0.27235048 F F F # 123 O51
0.57053875 0.06538671 0.57388186 T T T # 124 O52
0.43721413 0.26561770 0.45340617 T T T # 125 O53
0.59719372 0.23795727 0.39113257 F F F # 126 O54
0.40912706 0.09269060 0.39113257 F F F # 127 O55
0.56969402 0.06408927 0.45341017 T T T # 128 O56
0.43052706 0.25935727 0.33174153 F F F # 129 O57
0.60427591 0.22992035 0.51396081 T T T # 130 O58
0.40288540 0.09934148 0.51388852 T T T # 131 O59
0.57579372 0.07129060 0.33174153 F F F # 132 O60
0.43052706 0.25935727 0.21295944 F F F # 133 O61
0.59830358 0.23527961 0.63831316 T T T # 134 O62
0.40751918 0.09394169 0.63833358 T T T # 135 O63
0.57579372 0.07129060 0.21295944 F F F # 136 O64
0.43528262 0.59713784 0.57762405 T T T # 137 O65
0.59719372 0.57129060 0.27235048 F F F # 138 O66
0.40912706 0.42602393 0.27235048 F F F # 139 O67
0.57112868 0.39544183 0.57303923 T T T # 140 O68
0.43826795 0.59954676 0.45514003 T T T # 141 O69
0.59719372 0.57129060 0.39113257 F F F # 142 O70
0.40912706 0.42602393 0.39113257 F F F # 143 O71
0.56935006 0.39769313 0.45353586 T T T # 144 O72
0.43052706 0.59269060 0.33174153 F F F # 145 O73
0.60506751 0.56327286 0.51456074 T T T # 146 O74
0.40325521 0.43241498 0.51460299 T T T # 147 O75
0.57579372 0.40462393 0.33174153 F F F # 148 O76
0.43052706 0.59269060 0.21295944 F F F # 149 O77
0.60314577 0.56533828 0.63203792 T T T # 150 O78
0.40826852 0.42499974 0.63903990 T T T # 151 O79
0.57579372 0.40462393 0.21295944 F F F # 152 O80
0.43532888 0.93395686 0.57288605 T T T # 153 O81
0.59719372 0.90462393 0.27235048 F F F # 154 O82
0.40912706 0.75935727 0.27235048 F F F # 155 O83
0.57044991 0.73252243 0.57758119 T T T # 156 O84
0.43738429 0.93235273 0.45349462 T T T # 157 O85
0.59719372 0.90462393 0.39113257 F F F # 158 O86
0.40912706 0.75935727 0.39113257 F F F # 159 O87
0.56893932 0.73017601 0.45511195 T T T # 160 O88
0.43052706 0.92602393 0.33174153 F F F # 161 O89
0.60408006 0.89688048 0.51451295 T T T # 162 O90
0.40228420 0.76597165 0.51397352 T T T # 163 O91
0.57579372 0.73795727 0.33174153 F F F # 164 O92
0.43052706 0.92602393 0.21295944 F F F # 165 O93
0.59753885 0.90480965 0.63908717 T T T # 166 O94
0.40252451 0.76546215 0.63197103 T T T # 167 O95
0.57579372 0.73795727 0.21295944 F F F # 168 O96
0.76936933 0.26401010 0.57347830 T T T # 169 O97
0.93052706 0.23795727 0.27235048 F F F # 170 O98
0.74246039 0.09269060 0.27235048 F F F # 171 O99
0.90372663 0.06515535 0.57413470 T T T # 172 O100
0.77128750 0.26491996 0.45337441 T T T # 173 O101
0.93052706 0.23795727 0.39113257 F F F # 174 O102
0.74246039 0.09269060 0.39113257 F F F # 175 O103
0.90272550 0.06412806 0.45377579 T T T # 176 O104
0.76386039 0.25935727 0.33174153 F F F # 177 O105
0.93801423 0.23020507 0.51449664 T T T # 178 O106
0.73580038 0.09876480 0.51435011 T T T # 179 O107
0.90912706 0.07129060 0.33174153 F F F # 180 O108
0.76386039 0.25935727 0.21295944 F F F # 181 O109
0.93206606 0.23586147 0.63878967 T T T # 182 O110
0.74125489 0.09374155 0.63832400 T T T # 183 O111
0.90912706 0.07129060 0.21295944 F F F # 184 O112
0.77274351 0.59671691 0.57342981 T T T # 185 O113
0.93052706 0.57129060 0.27235048 F F F # 186 O114
0.74246039 0.42602393 0.27235048 F F F # 187 O115
0.90398620 0.39826963 0.57339472 T T T # 188 O116
0.77095086 0.59922908 0.45379353 T T T # 189 O117
0.93052706 0.57129060 0.39113257 F F F # 190 O118
0.74246039 0.42602393 0.39113257 F F F # 191 O119
0.90340005 0.39708545 0.45342980 T T T # 192 O120
0.76386039 0.59269060 0.33174153 F F F # 193 O121
0.93849791 0.56387026 0.51396528 T T T # 194 O122
0.73684898 0.43143772 0.51266411 T T T # 195 O123
0.90912706 0.40462393 0.33174153 F F F # 196 O124
0.76386039 0.59269060 0.21295944 F F F # 197 O125
0.93367000 0.56896610 0.63747458 T T T # 198 O126
0.74375690 0.42424932 0.63920260 T T T # 199 O127
0.90912706 0.40462393 0.21295944 F F F # 200 O128
0.76914848 0.93130185 0.57375005 T T T # 201 O129
0.93052706 0.90462393 0.27235048 F F F # 202 O130
0.74246039 0.75935727 0.27235048 F F F # 203 O131
0.90412838 0.73214636 0.57469518 T T T # 204 O132
0.77048381 0.93197906 0.45360030 T T T # 205 O133
0.93052706 0.90462393 0.39113257 F F F # 206 O134
0.74246039 0.75935727 0.39113257 F F F # 207 O135
0.90269889 0.73115734 0.45359445 T T T # 208 O136
0.76386039 0.92602393 0.33174153 F F F # 209 O137
0.93752683 0.89686321 0.51455182 T T T # 210 O138
0.73592035 0.76504252 0.51452352 T T T # 211 O139
0.90912706 0.73795727 0.33174153 F F F # 212 O140
0.76386039 0.92602393 0.21295944 F F F # 213 O141
0.93188739 0.90321321 0.63850224 T T T # 214 O142
0.74216800 0.76077553 0.63800649 T T T # 215 O143
0.90912706 0.73795727 0.21295944 F F F # 216 O144
0.50111427 0.66137580 0.70643190 T T T # 217 O885
0.47099472 0.67007773 0.82451643 T T T # 218 Si
0.65724041 0.64834530 0.79137752 T T T # 219 N
0.38795251 0.57069107 0.81228105 T T T # 220 C1
0.50334293 0.66348984 0.89429129 T T T # 221 C2
0.42075334 0.78929466 0.80703699 T T T # 222 C3
0.71479228 0.72763375 0.78588810 T T T # 223 C4
0.69530450 0.55645884 0.79722543 T T T # 224 C5
0.36867526 0.57059251 0.77095529 T T T # 225 H1
0.41526589 0.49944508 0.82341840 T T T # 226 H2
0.32465372 0.58092337 0.83509116 T T T # 227 H3
0.53444146 0.59447740 0.90484642 T T T # 228 H4
0.55217126 0.72108743 0.90321198 T T T # 229 H5
0.44290824 0.67085304 0.91876659 T T T # 230 H6
0.35761906 0.79636095 0.82743971 T T T # 231 H7
0.46380340 0.84899355 0.81638068 T T T # 232 H8
0.40684279 0.79552604 0.76635179 T T T # 233 H9
0.75781427 0.73505623 0.81470021 T T T # 234 H10
0.75033063 0.71556076 0.75432230 T T T # 235 H11
0.68338709 0.79574150 0.78305239 T T T # 236 H12
0.64900103 0.49910943 0.80139567 T T T # 237 H13
0.73301575 0.53665456 0.76653583 T T T # 238 H14
0.73685089 0.55966922 0.82726730 T T T # 239 H15
0.59892488 0.62632086 0.71870073 T T T # 240 H111