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
0.00385897 0.16671743 0.58853592 T T T # 1 Ti1
0.17159162 0.33288575 0.27106671 F F F # 2 Ti2
0.00724443 0.16389744 0.45816247 T T T # 3 Ti3
0.17159162 0.33288575 0.38984880 F F F # 4 Ti4
0.00492495 0.16621908 0.33045776 F F F # 5 Ti5
0.17532018 0.33086267 0.50557691 T T T # 6 Ti6
0.00492495 0.16621908 0.21167567 F F F # 7 Ti7
0.17207242 0.33278770 0.62146002 T T T # 8 Ti8
0.00537625 0.49862171 0.58784641 T T T # 9 Ti9
0.17159162 0.66621908 0.27106671 F F F # 10 Ti10
0.00799944 0.49672300 0.45820818 T T T # 11 Ti11
0.17159162 0.66621908 0.38984880 F F F # 12 Ti12
0.00492495 0.49955242 0.33045776 F F F # 13 Ti13
0.17453264 0.66309581 0.50562294 T T T # 14 Ti14
0.00492495 0.49955242 0.21167567 F F F # 15 Ti15
0.17137557 0.66620721 0.62158088 T T T # 16 Ti16
0.00474221 0.83274781 0.58802486 T T T # 17 Ti17
0.17159162 0.99955242 0.27106671 F F F # 18 Ti18
0.00729499 0.83003659 0.45831027 T T T # 19 Ti19
0.17159162 0.99955242 0.38984880 F F F # 20 Ti20
0.00492495 0.83288575 0.33045776 F F F # 21 Ti21
0.17290105 0.99801575 0.50530836 T T T # 22 Ti22
0.00492495 0.83288575 0.21167567 F F F # 23 Ti23
0.17038616 0.00057284 0.62146062 T T T # 24 Ti24
0.33807297 0.16588368 0.58786308 T T T # 25 Ti25
0.50492495 0.33288575 0.27106671 F F F # 26 Ti26
0.34118362 0.16364465 0.45818489 T T T # 27 Ti27
0.50492495 0.33288575 0.38984880 F F F # 28 Ti28
0.33825828 0.16621908 0.33045776 F F F # 29 Ti29
0.50759111 0.33012338 0.50558068 T T T # 30 Ti30
0.33825828 0.16621908 0.21167567 F F F # 31 Ti31
0.50524558 0.33203166 0.62143778 T T T # 32 Ti32
0.34062275 0.50132320 0.58936272 T T T # 33 Ti33
0.50492495 0.66621908 0.27106671 F F F # 34 Ti34
0.34248137 0.49809327 0.45879388 T T T # 35 Ti35
0.50492495 0.66621908 0.38984880 F F F # 36 Ti36
0.33825828 0.49955242 0.33045776 F F F # 37 Ti37
0.50818397 0.66392228 0.50913906 T T T # 38 Ti38
0.33825828 0.49955242 0.21167567 F F F # 39 Ti39
0.49989275 0.66797805 0.63037124 T T T # 40 Ti40
0.33346230 0.83756109 0.58502727 T T T # 41 Ti41
0.50492495 0.99955242 0.27106671 F F F # 42 Ti42
0.34142720 0.82963797 0.45762233 T T T # 43 Ti43
0.50492495 0.99955242 0.38984880 F F F # 44 Ti44
0.33825828 0.83288575 0.33045776 F F F # 45 Ti45
0.50799936 0.99640487 0.50559106 T T T # 46 Ti46
0.33825828 0.83288575 0.21167567 F F F # 47 Ti47
0.50446811 0.99926685 0.62154286 T T T # 48 Ti48
0.67198495 0.16546943 0.58804742 T T T # 49 Ti49
0.83825828 0.33288575 0.27106671 F F F # 50 Ti50
0.67421415 0.16323870 0.45826335 T T T # 51 Ti51
0.83825828 0.33288575 0.38984880 F F F # 52 Ti52
0.67159162 0.16621908 0.33045776 F F F # 53 Ti53
0.84117122 0.32984123 0.50540402 T T T # 54 Ti54
0.67159162 0.16621908 0.21167567 F F F # 55 Ti55
0.83765439 0.33303234 0.62151914 T T T # 56 Ti56
0.67355716 0.49762669 0.58572441 T T T # 57 Ti57
0.83825828 0.66621908 0.27106671 F F F # 58 Ti58
0.67401453 0.49726515 0.45753590 T T T # 59 Ti59
0.83825828 0.66621908 0.38984880 F F F # 60 Ti60
0.67159162 0.49955242 0.33045776 F F F # 61 Ti61
0.84122772 0.66344084 0.50576356 T T T # 62 Ti62
0.67159162 0.49955242 0.21167567 F F F # 63 Ti63
0.83855758 0.66528511 0.62183251 T T T # 64 Ti64
0.66825829 0.82929932 0.58922025 T T T # 65 Ti65
0.83825828 0.99955242 0.27106671 F F F # 66 Ti66
0.67354965 0.82887919 0.45877655 T T T # 67 Ti67
0.83825828 0.99955242 0.38984880 F F F # 68 Ti68
0.67159162 0.83288575 0.33045776 F F F # 69 Ti69
0.84015294 0.99607726 0.50568695 T T T # 70 Ti70
0.67159162 0.83288575 0.21167567 F F F # 71 Ti71
0.83738039 0.99828524 0.62143217 T T T # 72 Ti72
0.10489408 0.26500835 0.57279931 T T T # 73 O1
0.26562495 0.23885242 0.27106671 F F F # 74 O2
0.07755828 0.09358575 0.27106671 F F F # 75 O3
0.23841555 0.06674269 0.57219210 T T T # 76 O4
0.10618565 0.26642837 0.45253604 T T T # 77 O5
0.26562495 0.23885242 0.38984880 F F F # 78 O6
0.07755828 0.09358575 0.38984880 F F F # 79 O7
0.23783960 0.06523304 0.45221293 T T T # 80 O8
0.09895828 0.26025242 0.33045776 F F F # 81 O9
0.27360875 0.23121814 0.51317258 T T T # 82 O10
0.07137382 0.09946137 0.51262261 T T T # 83 O11
0.24422495 0.07218575 0.33045776 F F F # 84 O12
0.09895828 0.26025242 0.21167567 F F F # 85 O13
0.26688032 0.23649529 0.63681643 T T T # 86 O14
0.07549446 0.09530473 0.63744140 T T T # 87 O15
0.24422495 0.07218575 0.21167567 F F F # 88 O16
0.10479386 0.59834385 0.57261365 T T T # 89 O17
0.26562495 0.57218575 0.27106671 F F F # 90 O18
0.07755828 0.42691908 0.27106671 F F F # 91 O19
0.23918272 0.39934573 0.57269816 T T T # 92 O20
0.10623390 0.59937474 0.45216672 T T T # 93 O21
0.26562495 0.57218575 0.38984880 F F F # 94 O22
0.07755828 0.42691908 0.38984880 F F F # 95 O23
0.23842009 0.39862865 0.45233379 T T T # 96 O24
0.09895828 0.59358575 0.33045776 F F F # 97 O25
0.27340393 0.56458998 0.51341190 T T T # 98 O26
0.07172072 0.43302664 0.51310788 T T T # 99 O27
0.24422495 0.40551908 0.33045776 F F F # 100 O28
0.09895828 0.59358575 0.21167567 F F F # 101 O29
0.26522355 0.57047528 0.63760152 T T T # 102 O30
0.07628160 0.42724458 0.63693664 T T T # 103 O31
0.24422495 0.40551908 0.21167567 F F F # 104 O32
0.10412016 0.93246998 0.57230239 T T T # 105 O33
0.26562495 0.90551908 0.27106671 F F F # 106 O34
0.07755828 0.76025242 0.27106671 F F F # 107 O35
0.23635304 0.73343172 0.57185394 T T T # 108 O36
0.10570479 0.93318956 0.45216490 T T T # 109 O37
0.26562495 0.90551908 0.38984880 F F F # 110 O38
0.07755828 0.76025242 0.38984880 F F F # 111 O39
0.23802598 0.73164399 0.45230915 T T T # 112 O40
0.09895828 0.92691908 0.33045776 F F F # 113 O41
0.27273486 0.89815670 0.51230047 T T T # 114 O42
0.07101341 0.76597962 0.51268488 T T T # 115 O43
0.24422495 0.73885242 0.33045776 F F F # 116 O44
0.09895828 0.92691908 0.21167567 F F F # 117 O45
0.26422284 0.90669869 0.63717895 T T T # 118 O46
0.07611979 0.76121286 0.63706553 T T T # 119 O47
0.24422495 0.73885242 0.21167567 F F F # 120 O48
0.43798959 0.26464183 0.57250011 T T T # 121 O49
0.59895828 0.23885242 0.27106671 F F F # 122 O50
0.41089162 0.09358575 0.27106671 F F F # 123 O51
0.57261791 0.06597685 0.57266959 T T T # 124 O52
0.43922040 0.26632490 0.45213589 T T T # 125 O53
0.59895828 0.23885242 0.38984880 F F F # 126 O54
0.41089162 0.09358575 0.38984880 F F F # 127 O55
0.57173221 0.06476986 0.45215414 T T T # 128 O56
0.43229162 0.26025242 0.33045776 F F F # 129 O57
0.60638024 0.23047371 0.51270252 T T T # 130 O58
0.40501017 0.09997164 0.51261229 T T T # 131 O59
0.57755828 0.07218575 0.33045776 F F F # 132 O60
0.43229162 0.26025242 0.21167567 F F F # 133 O61
0.60022106 0.23603217 0.63702972 T T T # 134 O62
0.40951602 0.09461360 0.63696249 T T T # 135 O63
0.57755828 0.07218575 0.21167567 F F F # 136 O64
0.43687424 0.59776930 0.57621460 T T T # 137 O65
0.59895828 0.57218575 0.27106671 F F F # 138 O66
0.41089162 0.42691908 0.27106671 F F F # 139 O67
0.57307635 0.39633019 0.57181225 T T T # 140 O68
0.44032268 0.60024641 0.45391153 T T T # 141 O69
0.59895828 0.57218575 0.38984880 F F F # 142 O70
0.41089162 0.42691908 0.38984880 F F F # 143 O71
0.57131153 0.39838575 0.45226989 T T T # 144 O72
0.43229162 0.59358575 0.33045776 F F F # 145 O73
0.60716921 0.56386500 0.51336920 T T T # 146 O74
0.40529988 0.43289013 0.51328664 T T T # 147 O75
0.57755828 0.40551908 0.33045776 F F F # 148 O76
0.43229162 0.59358575 0.21167567 F F F # 149 O77
0.60518292 0.56675890 0.63086814 T T T # 150 O78
0.41009601 0.42561709 0.63777722 T T T # 151 O79
0.57755828 0.40551908 0.21167567 F F F # 152 O80
0.43727045 0.93477837 0.57158541 T T T # 153 O81
0.59895828 0.90551908 0.27106671 F F F # 154 O82
0.41089162 0.76025242 0.27106671 F F F # 155 O83
0.57264347 0.73308635 0.57633877 T T T # 156 O84
0.43936710 0.93306886 0.45224543 T T T # 157 O85
0.59895828 0.90551908 0.38984880 F F F # 158 O86
0.41089162 0.76025242 0.38984880 F F F # 159 O87
0.57101580 0.73090100 0.45377164 T T T # 160 O88
0.43229162 0.92691908 0.33045776 F F F # 161 O89
0.60620276 0.89734942 0.51337871 T T T # 162 O90
0.40446128 0.76663431 0.51264606 T T T # 163 O91
0.57755828 0.73885242 0.33045776 F F F # 164 O92
0.43229162 0.92691908 0.21167567 F F F # 165 O93
0.59954632 0.90506710 0.63778688 T T T # 166 O94
0.40487129 0.76720646 0.63086079 T T T # 167 O95
0.57755828 0.73885242 0.21167567 F F F # 168 O96
0.77121534 0.26495263 0.57227779 T T T # 169 O97
0.93229162 0.23885242 0.27106671 F F F # 170 O98
0.74422495 0.09358575 0.27106671 F F F # 171 O99
0.90546912 0.06576444 0.57289453 T T T # 172 O100
0.77333848 0.26556503 0.45215173 T T T # 173 O101
0.93229162 0.23885242 0.38984880 F F F # 174 O102
0.74422495 0.09358575 0.38984880 F F F # 175 O103
0.90460370 0.06486119 0.45255158 T T T # 176 O104
0.76562495 0.26025242 0.33045776 F F F # 177 O105
0.94015235 0.23071855 0.51342566 T T T # 178 O106
0.73786915 0.09929598 0.51314341 T T T # 179 O107
0.91089162 0.07218575 0.33045776 F F F # 180 O108
0.76562495 0.26025242 0.21167567 F F F # 181 O109
0.93375916 0.23686623 0.63746977 T T T # 182 O110
0.74314440 0.09439670 0.63706836 T T T # 183 O111
0.91089162 0.07218575 0.21167567 F F F # 184 O112
0.77483866 0.59763964 0.57180351 T T T # 185 O113
0.93229162 0.57218575 0.27106671 F F F # 186 O114
0.74422495 0.42691908 0.27106671 F F F # 187 O115
0.90575286 0.39943219 0.57222517 T T T # 188 O116
0.77282541 0.59980909 0.45233743 T T T # 189 O117
0.93229162 0.57218575 0.38984880 F F F # 190 O118
0.74422495 0.42691908 0.38984880 F F F # 191 O119
0.90544633 0.39771286 0.45219092 T T T # 192 O120
0.76562495 0.59358575 0.33045776 F F F # 193 O121
0.94060102 0.56445955 0.51271486 T T T # 194 O122
0.73898963 0.43201393 0.51123184 T T T # 195 O123
0.91089162 0.40551908 0.33045776 F F F # 196 O124
0.76562495 0.59358575 0.21167567 F F F # 197 O125
0.93495917 0.57029790 0.63677214 T T T # 198 O126
0.74545984 0.42543041 0.63796955 T T T # 199 O127
0.91089162 0.40551908 0.21167567 F F F # 200 O128
0.77110401 0.93144909 0.57265138 T T T # 201 O129
0.93229162 0.90551908 0.27106671 F F F # 202 O130
0.74422495 0.76025242 0.27106671 F F F # 203 O131
0.90608106 0.73301051 0.57282471 T T T # 204 O132
0.77245680 0.93266834 0.45236621 T T T # 205 O133
0.93229162 0.90551908 0.38984880 F F F # 206 O134
0.74422495 0.76025242 0.38984880 F F F # 207 O135
0.90472447 0.73189865 0.45220891 T T T # 208 O136
0.76562495 0.92691908 0.33045776 F F F # 209 O137
0.93975569 0.89750094 0.51324840 T T T # 210 O138
0.73800541 0.76551161 0.51324946 T T T # 211 O139
0.91089162 0.73885242 0.33045776 F F F # 212 O140
0.76562495 0.92691908 0.21167567 F F F # 213 O141
0.93401692 0.90388141 0.63701373 T T T # 214 O142
0.74452639 0.76055527 0.63769036 T T T # 215 O143
0.91089162 0.73885242 0.21167567 F F F # 216 O144
0.49788590 0.65662242 0.70515843 T T T # 217 O885
0.47381719 0.66016325 0.84020161 T T T # 218 Si
0.61507316 0.64715450 0.81154313 T T T # 219 N
0.39827253 0.55483131 0.82142535 T T T # 220 C1
0.48936746 0.65908058 0.91427560 T T T # 221 C2
0.41899471 0.77587262 0.81741931 T T T # 222 C3
0.67099927 0.72840433 0.79706434 T T T # 223 C4
0.66241000 0.55616099 0.81137657 T T T # 224 C5
0.38775965 0.55318474 0.77813279 T T T # 225 H1
0.42749459 0.48510072 0.83467520 T T T # 226 H2
0.32812701 0.56206791 0.84021383 T T T # 227 H3
0.52255733 0.59203921 0.92830327 T T T # 228 H4
0.53379294 0.71983232 0.92682401 T T T # 229 H5
0.42064417 0.66490015 0.93424113 T T T # 230 H6
0.34697249 0.77904733 0.83249475 T T T # 231 H7
0.45594630 0.83966789 0.83130978 T T T # 232 H8
0.41619252 0.77927373 0.77426145 T T T # 233 H9
0.73116841 0.73573044 0.82173281 T T T # 234 H10
0.69508663 0.71947034 0.75767089 T T T # 235 H11
0.63304206 0.79591356 0.79918184 T T T # 236 H12
0.61719432 0.49682730 0.82237238 T T T # 237 H13
0.68979483 0.53870466 0.77310868 T T T # 238 H14
0.72101260 0.55843608 0.83764537 T T T # 239 H15
0.56013184 0.61181077 0.71764965 T T T # 240 H111