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
0.01230522 0.16814980 0.58509388 T T T # 1 Ti1
0.17796681 0.33456613 0.27207426 F F F # 2 Ti2
0.01281455 0.16615521 0.45735516 T T T # 3 Ti3
0.17796681 0.33456613 0.39085635 F F F # 4 Ti4
0.01130014 0.16789946 0.33146531 F F F # 5 Ti5
0.17523103 0.33221440 0.51182784 T T T # 6 Ti6
0.01130014 0.16789946 0.21268322 F F F # 7 Ti7
0.18521101 0.33692943 0.63117094 T T T # 8 Ti8
0.01502595 0.50653670 0.58331596 T T T # 9 Ti9
0.17796681 0.66789946 0.27207426 F F F # 10 Ti10
0.01035948 0.49962162 0.45705784 T T T # 11 Ti11
0.17796681 0.66789946 0.39085635 F F F # 12 Ti12
0.01130014 0.50123280 0.33146531 F F F # 13 Ti13
0.17649597 0.66624853 0.51043746 T T T # 14 Ti14
0.01130014 0.50123280 0.21268322 F F F # 15 Ti15
0.18411440 0.67939840 0.62901140 T T T # 16 Ti16
0.00456556 0.83141242 0.58277900 T T T # 17 Ti17
0.17796681 0.00123280 0.27207426 F F F # 18 Ti18
0.01323587 0.83635638 0.45703713 T T T # 19 Ti19
0.17796681 0.00123280 0.39085635 F F F # 20 Ti20
0.01130014 0.83456613 0.33146531 F F F # 21 Ti21
0.18046987 0.00211278 0.51162290 T T T # 22 Ti22
0.01130014 0.83456613 0.21268322 F F F # 23 Ti23
0.16303926 0.98988103 0.63155763 T T T # 24 Ti24
0.34017836 0.16025847 0.58384045 T T T # 25 Ti25
0.51130014 0.33456613 0.27207426 F F F # 26 Ti26
0.34453367 0.16834529 0.45744403 T T T # 27 Ti27
0.51130014 0.33456613 0.39085635 F F F # 28 Ti28
0.34463347 0.16789946 0.33146531 F F F # 29 Ti29
0.51048803 0.33442308 0.51055594 T T T # 30 Ti30
0.34463347 0.16789946 0.21268322 F F F # 31 Ti31
0.49672575 0.32411793 0.63106748 T T T # 32 Ti32
0.34374617 0.50179254 0.58632167 T T T # 33 Ti33
0.51130014 0.66789946 0.27207426 F F F # 34 Ti34
0.34303761 0.49982613 0.45838942 T T T # 35 Ti35
0.51130014 0.66789946 0.39085635 F F F # 36 Ti36
0.34463347 0.50123280 0.33146531 F F F # 37 Ti37
0.51218051 0.66841242 0.50924121 T T T # 38 Ti38
0.34463347 0.50123280 0.21268322 F F F # 39 Ti39
0.50645083 0.67164624 0.62787841 T T T # 40 Ti40
0.34725020 0.84261295 0.58312398 T T T # 41 Ti41
0.51130014 0.00123280 0.27207426 F F F # 42 Ti42
0.34453548 0.83211244 0.45708197 T T T # 43 Ti43
0.51130014 0.00123280 0.39085635 F F F # 44 Ti44
0.34463347 0.83456613 0.33146531 F F F # 45 Ti45
0.50917802 0.99855954 0.51089858 T T T # 46 Ti46
0.34463347 0.83456613 0.21268322 F F F # 47 Ti47
0.52392234 0.01434512 0.63009876 T T T # 48 Ti48
0.68333706 0.17492125 0.58202316 T T T # 49 Ti49
0.84463347 0.33456613 0.27207426 F F F # 50 Ti50
0.67601642 0.16596574 0.45674279 T T T # 51 Ti51
0.84463347 0.33456613 0.39085635 F F F # 52 Ti52
0.67796681 0.16789946 0.33146531 F F F # 53 Ti53
0.84478044 0.33036426 0.50982448 T T T # 54 Ti54
0.67796681 0.16789946 0.21268322 F F F # 55 Ti55
0.85694993 0.34505953 0.62867596 T T T # 56 Ti56
0.67549510 0.48842272 0.57824729 T T T # 57 Ti57
0.84463347 0.66789946 0.27207426 F F F # 58 Ti58
0.67819831 0.50297505 0.45583979 T T T # 59 Ti59
0.84463347 0.66789946 0.39085635 F F F # 60 Ti60
0.67796681 0.50123280 0.33146531 F F F # 61 Ti61
0.84710329 0.67024353 0.50990017 T T T # 62 Ti62
0.67796681 0.50123280 0.21268322 F F F # 63 Ti63
0.83211469 0.65552646 0.62754345 T T T # 64 Ti64
0.67737321 0.83423952 0.58594930 T T T # 65 Ti65
0.84463347 0.00123280 0.27207426 F F F # 66 Ti66
0.67997053 0.83625729 0.45819959 T T T # 67 Ti67
0.84463347 0.00123280 0.39085635 F F F # 68 Ti68
0.67796681 0.83456613 0.33146531 F F F # 69 Ti69
0.84646203 0.00360705 0.51176832 T T T # 70 Ti70
0.67796681 0.83456613 0.21268322 F F F # 71 Ti71
0.83912510 0.00008530 0.63087406 T T T # 72 Ti72
0.11063366 0.27006108 0.57240158 T T T # 73 O1
0.27200014 0.24053280 0.27207426 F F F # 74 O2
0.08393347 0.09526613 0.27207426 F F F # 75 O3
0.24005984 0.06432941 0.57062648 T T T # 76 O4
0.11200729 0.26813257 0.45201975 T T T # 77 O5
0.27200014 0.24053280 0.39085635 F F F # 78 O6
0.08393347 0.09526613 0.39085635 F F F # 79 O7
0.24314596 0.06662178 0.45174810 T T T # 80 O8
0.10533347 0.26193280 0.33146531 F F F # 81 O9
0.27655651 0.23252543 0.51113871 T T T # 82 O10
0.07669372 0.10096835 0.51171668 T T T # 83 O11
0.25060014 0.07386613 0.33146531 F F F # 84 O12
0.10533347 0.26193280 0.21268322 F F F # 85 O13
0.26839161 0.23020346 0.63106105 T T T # 86 O14
0.08540909 0.10142537 0.63282729 T T T # 87 O15
0.25060014 0.07386613 0.21268322 F F F # 88 O16
0.11655485 0.60279512 0.57117870 T T T # 89 O17
0.27200014 0.57386613 0.27207426 F F F # 90 O18
0.08393347 0.42859946 0.27207426 F F F # 91 O19
0.24645357 0.39957866 0.57331448 T T T # 92 O20
0.11320354 0.60203403 0.45180585 T T T # 93 O21
0.27200014 0.57386613 0.39085635 F F F # 94 O22
0.08393347 0.42859946 0.39085635 F F F # 95 O23
0.24366058 0.40046995 0.45203218 T T T # 96 O24
0.10533347 0.59526613 0.33146531 F F F # 97 O25
0.28017691 0.56835652 0.51235811 T T T # 98 O26
0.07903399 0.43613835 0.51089886 T T T # 99 O27
0.25060014 0.40719946 0.33146531 F F F # 100 O28
0.10533347 0.59526613 0.21268322 F F F # 101 O29
0.27158153 0.56959555 0.63288679 T T T # 102 O30
0.07752930 0.42922050 0.62975538 T T T # 103 O31
0.25060014 0.40719946 0.21268322 F F F # 104 O32
0.10920975 0.93073466 0.57152499 T T T # 105 O33
0.27200014 0.90719946 0.27207426 F F F # 106 O34
0.08393347 0.76193280 0.27207426 F F F # 107 O35
0.24581015 0.73927032 0.57236901 T T T # 108 O36
0.11110790 0.93465009 0.45107062 T T T # 109 O37
0.27200014 0.90719946 0.39085635 F F F # 110 O38
0.08393347 0.76193280 0.39085635 F F F # 111 O39
0.24478206 0.73418843 0.45138503 T T T # 112 O40
0.10533347 0.92859946 0.33146531 F F F # 113 O41
0.27962200 0.90088762 0.51086584 T T T # 114 O42
0.07675016 0.76717835 0.51040349 T T T # 115 O43
0.25060014 0.74053280 0.33146531 F F F # 116 O44
0.10533347 0.92859946 0.21268322 F F F # 117 O45
0.28159107 0.91624522 0.62943228 T T T # 118 O46
0.07247260 0.75688781 0.62931356 T T T # 119 O47
0.25060014 0.74053280 0.21268322 F F F # 120 O48
0.44086573 0.26354915 0.57222656 T T T # 121 O49
0.60533347 0.24053280 0.27207426 F F F # 122 O50
0.41726681 0.09526613 0.27207426 F F F # 123 O51
0.58069794 0.07161534 0.57164142 T T T # 124 O52
0.44379534 0.26769097 0.45115472 T T T # 125 O53
0.60533347 0.24053280 0.39085635 F F F # 126 O54
0.41726681 0.09526613 0.39085635 F F F # 127 O55
0.57808129 0.06736457 0.45112093 T T T # 128 O56
0.43866681 0.26193280 0.33146531 F F F # 129 O57
0.61206226 0.23486031 0.51026510 T T T # 130 O58
0.41010756 0.10052910 0.51090142 T T T # 131 O59
0.58393347 0.07386613 0.33146531 F F F # 132 O60
0.43866681 0.26193280 0.21268322 F F F # 133 O61
0.61697268 0.25210826 0.62674882 T T T # 134 O62
0.40810895 0.08675173 0.63055524 T T T # 135 O63
0.58393347 0.07386613 0.21268322 F F F # 136 O64
0.44622660 0.60231266 0.57448083 T T T # 137 O65
0.60533347 0.57386613 0.27207426 F F F # 138 O66
0.41726681 0.42859946 0.27207426 F F F # 139 O67
0.57088359 0.39945008 0.57076841 T T T # 140 O68
0.44538766 0.60203072 0.45201948 T T T # 141 O69
0.60533347 0.57386613 0.39085635 F F F # 142 O70
0.41726681 0.42859946 0.39085635 F F F # 143 O71
0.57585306 0.39969809 0.45187769 T T T # 144 O72
0.43866681 0.59526613 0.33146531 F F F # 145 O73
0.61032841 0.56546743 0.51033366 T T T # 146 O74
0.40976643 0.43425527 0.51156316 T T T # 147 O75
0.58393347 0.40719946 0.33146531 F F F # 148 O76
0.43866681 0.59526613 0.21268322 F F F # 149 O77
0.61472640 0.57058677 0.63377569 T T T # 150 O78
0.41808317 0.43424363 0.63415771 T T T # 151 O79
0.58393347 0.40719946 0.21268322 F F F # 152 O80
0.44944852 0.93699425 0.57060297 T T T # 153 O81
0.60533347 0.90719946 0.27207426 F F F # 154 O82
0.41726681 0.76193280 0.27207426 F F F # 155 O83
0.57791199 0.73139209 0.57302322 T T T # 156 O84
0.44606506 0.93503809 0.45168681 T T T # 157 O85
0.60533347 0.90719946 0.39085635 F F F # 158 O86
0.41726681 0.76193280 0.39085635 F F F # 159 O87
0.57733138 0.73362588 0.45215861 T T T # 160 O88
0.43866681 0.92859946 0.33146531 F F F # 161 O89
0.61262914 0.90080675 0.51194703 T T T # 162 O90
0.41205473 0.76851148 0.51099144 T T T # 163 O91
0.58393347 0.74053280 0.33146531 F F F # 164 O92
0.43866681 0.92859946 0.21268322 F F F # 165 O93
0.60249483 0.89996532 0.63281409 T T T # 166 O94
0.41768401 0.77125610 0.63167151 T T T # 167 O95
0.58393347 0.74053280 0.21268322 F F F # 168 O96
0.78464118 0.26979677 0.56985719 T T T # 169 O97
0.93866681 0.24053280 0.27207426 F F F # 170 O98
0.75060014 0.09526613 0.27207426 F F F # 171 O99
0.91154608 0.06666644 0.57286776 T T T # 172 O100
0.77923998 0.26879292 0.45135036 T T T # 173 O101
0.93866681 0.24053280 0.39085635 F F F # 174 O102
0.75060014 0.09526613 0.39085635 F F F # 175 O103
0.91105274 0.06689954 0.45210484 T T T # 176 O104
0.77200014 0.26193280 0.33146531 F F F # 177 O105
0.94665327 0.23433842 0.51111853 T T T # 178 O106
0.74571514 0.10297099 0.51056593 T T T # 179 O107
0.91726681 0.07386613 0.33146531 F F F # 180 O108
0.77200014 0.26193280 0.21268322 F F F # 181 O109
0.93920361 0.23737501 0.63233597 T T T # 182 O110
0.75088151 0.10468460 0.63111989 T T T # 183 O111
0.91726681 0.07386613 0.21268322 F F F # 184 O112
0.77709666 0.59648707 0.56971046 T T T # 185 O113
0.93866681 0.57386613 0.27207426 F F F # 186 O114
0.75060014 0.42859946 0.27207426 F F F # 187 O115
0.91176655 0.40601102 0.57043742 T T T # 188 O116
0.77765880 0.60131192 0.45096923 T T T # 189 O117
0.93866681 0.57386613 0.39085635 F F F # 190 O118
0.75060014 0.42859946 0.39085635 F F F # 191 O119
0.91141940 0.40113913 0.45097275 T T T # 192 O120
0.77200014 0.59526613 0.33146531 F F F # 193 O121
0.94637079 0.56867944 0.51027907 T T T # 194 O122
0.74196856 0.43415462 0.51065150 T T T # 195 O123
0.91726681 0.40719946 0.33146531 F F F # 196 O124
0.77200014 0.59526613 0.21268322 F F F # 197 O125
0.94827582 0.58159105 0.63048129 T T T # 198 O126
0.74000119 0.42110172 0.62674422 T T T # 199 O127
0.91726681 0.40719946 0.21268322 F F F # 200 O128
0.77516650 0.93646762 0.57323739 T T T # 201 O129
0.93866681 0.90719946 0.27207426 F F F # 202 O130
0.75060014 0.76193280 0.27207426 F F F # 203 O131
0.90521100 0.73251111 0.57060395 T T T # 204 O132
0.77879614 0.93565719 0.45212367 T T T # 205 O133
0.93866681 0.90719946 0.39085635 F F F # 206 O134
0.75060014 0.76193280 0.39085635 F F F # 207 O135
0.91012620 0.73402921 0.45110830 T T T # 208 O136
0.77200014 0.92859946 0.33146531 F F F # 209 O137
0.94333946 0.89957157 0.51104334 T T T # 210 O138
0.74305829 0.76776866 0.51162001 T T T # 211 O139
0.91726681 0.74053280 0.33146531 F F F # 212 O140
0.77200014 0.92859946 0.21268322 F F F # 213 O141
0.93994380 0.90516829 0.63023080 T T T # 214 O142
0.74956275 0.76427918 0.63381278 T T T # 215 O143
0.91726681 0.74053280 0.21268322 F F F # 216 O144
0.49321033 0.65270845 0.70673753 T T T # 217 O885
0.20118934 0.36576496 0.70341950 T T T # 218 O146
0.21101457 0.71614845 0.70031255 T T T # 219 O293
0.13234389 0.93539498 0.69658219 T T T # 220 O441
0.47606180 0.26634648 0.69632479 T T T # 221 O590
0.56320779 0.06442906 0.69658682 T T T # 222 O740
0.87942146 0.39770317 0.69751944 T T T # 223 O891
0.78459713 0.59269352 0.69173720 T T T # 224 O1043
0.82319067 0.98185861 0.70332777 T T T # 225 O1196
0.43718453 0.69156405 0.80574634 T T T # 226 Si
0.54810286 0.67163830 0.76164280 T T T # 227 N
0.36237136 0.58063378 0.79745033 T T T # 228 C1
0.48275183 0.70149103 0.87699238 T T T # 229 C2
0.38297708 0.80664918 0.78197673 T T T # 230 C3
0.61052587 0.75647891 0.75510238 T T T # 231 C4
0.60291843 0.58447442 0.77573115 T T T # 232 C5
0.35262575 0.55959715 0.75516060 T T T # 233 H1
0.39383796 0.51886473 0.81858885 T T T # 234 H2
0.29087450 0.59328158 0.81497912 T T T # 235 H3
0.51583161 0.63423812 0.89152956 T T T # 236 H4
0.53447915 0.76080946 0.88247333 T T T # 237 H5
0.42056713 0.71670839 0.90336711 T T T # 238 H6
0.31004269 0.81386993 0.79918663 T T T # 239 H7
0.42514039 0.86962587 0.79509036 T T T # 240 H8
0.37568741 0.80892030 0.73779500 T T T # 241 H9
0.64707090 0.76750605 0.78876864 T T T # 242 H10
0.65632734 0.74329977 0.72564873 T T T # 243 H11
0.57458661 0.81972780 0.74616406 T T T # 244 H12
0.55774748 0.52171192 0.77424228 T T T # 245 H13
0.66470242 0.57257798 0.73994428 T T T # 246 H14
0.63091268 0.59186971 0.81147986 T T T # 247 H15
0.64814352 0.57496993 0.66809296 T T T # 248 H111
0.17314253 0.42451525 0.71506410 T T T # 249 H17
0.26801217 0.68547761 0.71489131 T T T # 250 H35
0.15611901 0.87070161 0.70605452 T T T # 251 H54
0.50380539 0.20228725 0.70465663 T T T # 252 H74
0.63135831 0.05755589 0.70562826 T T T # 253 H95
0.94239890 0.38421455 0.71304990 T T T # 254 H117
0.81711798 0.53008967 0.69905482 T T T # 255 H140
0.87103088 0.94127735 0.72073602 T T T # 256 H164