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 C H
72 154 1 4 21
Selective dynamics
Direct
0.99925336 0.16332087 0.58090479 T T T # 1 Ti1
0.17132940 0.33328717 0.27165097 F F F # 2 Ti2
0.00671082 0.16714664 0.45588270 T T T # 3 Ti3
0.17132940 0.33328717 0.39043306 F F F # 4 Ti4
0.00466273 0.16662050 0.33104202 F F F # 5 Ti5
0.17245049 0.33599034 0.51093538 T T T # 6 Ti6
0.00466273 0.16662050 0.21225993 F F F # 7 Ti7
0.16339663 0.32075980 0.63001399 T T T # 8 Ti8
0.00479529 0.50201422 0.58220435 T T T # 9 Ti9
0.17132940 0.66662050 0.27165097 F F F # 10 Ti10
0.00632585 0.50259681 0.45647029 T T T # 11 Ti11
0.17132940 0.66662050 0.39043306 F F F # 12 Ti12
0.00466273 0.49995384 0.33104202 F F F # 13 Ti13
0.17581831 0.67212029 0.51103332 T T T # 14 Ti14
0.00466273 0.49995384 0.21225993 F F F # 15 Ti15
0.16261995 0.66376617 0.62957703 T T T # 16 Ti16
0.00403918 0.83829286 0.58312217 T T T # 17 Ti17
0.17132940 0.99995384 0.27165097 F F F # 18 Ti18
0.00360246 0.83242292 0.45679372 T T T # 19 Ti19
0.17132940 0.99995384 0.39043306 F F F # 20 Ti20
0.00466273 0.83328717 0.33104202 F F F # 21 Ti21
0.17357306 0.00168505 0.50960335 T T T # 22 Ti22
0.00466273 0.83328717 0.21225993 F F F # 23 Ti23
0.16261997 0.99708020 0.63022552 T T T # 24 Ti24
0.33604889 0.16213865 0.58399846 T T T # 25 Ti25
0.50466273 0.33328717 0.27165097 F F F # 26 Ti26
0.33943355 0.16924082 0.45731972 T T T # 27 Ti27
0.50466273 0.33328717 0.39043306 F F F # 28 Ti28
0.33799606 0.16662050 0.33104202 F F F # 29 Ti29
0.50764113 0.33615919 0.51175241 T T T # 30 Ti30
0.33799606 0.16662050 0.21225993 F F F # 31 Ti31
0.49294975 0.32590603 0.63089132 T T T # 32 Ti32
0.33402110 0.49855596 0.58439211 T T T # 33 Ti33
0.50466273 0.66662050 0.27165097 F F F # 34 Ti34
0.33857956 0.50087515 0.45742979 T T T # 35 Ti35
0.50466273 0.66662050 0.39043306 F F F # 36 Ti36
0.33799606 0.49995384 0.33104202 F F F # 37 Ti37
0.50541758 0.66749743 0.51049663 T T T # 38 Ti38
0.33799606 0.49995384 0.21225993 F F F # 39 Ti39
0.49344325 0.65787051 0.62923146 T T T # 40 Ti40
0.33966479 0.83666331 0.58155459 T T T # 41 Ti41
0.50466273 0.99995384 0.27165097 F F F # 42 Ti42
0.33920675 0.83407207 0.45588173 T T T # 43 Ti43
0.50466273 0.99995384 0.39043306 F F F # 44 Ti44
0.33799606 0.83328717 0.33104202 F F F # 45 Ti45
0.50300819 0.99837159 0.51159618 T T T # 46 Ti46
0.33799606 0.83328717 0.21225993 F F F # 47 Ti47
0.51423656 0.01143297 0.63071531 T T T # 48 Ti48
0.67664823 0.17194554 0.58253454 T T T # 49 Ti49
0.83799606 0.33328717 0.27165097 F F F # 50 Ti50
0.66937964 0.16498627 0.45653131 T T T # 51 Ti51
0.83799606 0.33328717 0.39043306 F F F # 52 Ti52
0.67132940 0.16662050 0.33104202 F F F # 53 Ti53
0.83868168 0.33313899 0.50861797 T T T # 54 Ti54
0.67132940 0.16662050 0.21225993 F F F # 55 Ti55
0.84348206 0.34283334 0.62885774 T T T # 56 Ti56
0.67081813 0.50111202 0.58223782 T T T # 57 Ti57
0.83799606 0.66662050 0.27165097 F F F # 58 Ti58
0.67199640 0.49970154 0.45634365 T T T # 59 Ti59
0.83799606 0.66662050 0.39043306 F F F # 60 Ti60
0.67132940 0.49995384 0.33104202 F F F # 61 Ti61
0.83501136 0.66450796 0.51157676 T T T # 62 Ti62
0.67132940 0.49995384 0.21225993 F F F # 63 Ti63
0.84517831 0.67771027 0.63132147 T T T # 64 Ti64
0.66476019 0.82949806 0.58441717 T T T # 65 Ti65
0.83799606 0.99995384 0.27165097 F F F # 66 Ti66
0.67232609 0.83379374 0.45718043 T T T # 67 Ti67
0.83799606 0.99995384 0.39043306 F F F # 68 Ti68
0.67132940 0.83328717 0.33104202 F F F # 69 Ti69
0.83865782 0.00167252 0.51041827 T T T # 70 Ti70
0.67132940 0.83328717 0.21225993 F F F # 71 Ti71
0.82564247 0.99169507 0.63044793 T T T # 72 Ti72
0.10028164 0.26690517 0.57077705 T T T # 73 O1
0.26536273 0.23925384 0.27165097 F F F # 74 O2
0.07729606 0.09398717 0.27165097 F F F # 75 O3
0.23519282 0.06581302 0.57173702 T T T # 76 O4
0.10521406 0.26724962 0.45135998 T T T # 77 O5
0.26536273 0.23925384 0.39043306 F F F # 78 O6
0.07729606 0.09398717 0.39043306 F F F # 79 O7
0.23772408 0.06655158 0.45092336 T T T # 80 O8
0.09869606 0.26065384 0.33104202 F F F # 81 O9
0.27074981 0.23259609 0.51124997 T T T # 82 O10
0.07024002 0.10001479 0.50984761 T T T # 83 O11
0.24396273 0.07258717 0.33104202 F F F # 84 O12
0.09869606 0.26065384 0.21225993 F F F # 85 O13
0.26866675 0.23719153 0.63117288 T T T # 86 O14
0.07545036 0.10055761 0.62932504 T T T # 87 O15
0.24396273 0.07258717 0.21225993 F F F # 88 O16
0.10184157 0.60559850 0.57084736 T T T # 89 O17
0.26536273 0.57258717 0.27165097 F F F # 90 O18
0.07729606 0.42732050 0.27165097 F F F # 91 O19
0.23508623 0.39747787 0.57292760 T T T # 92 O20
0.10599726 0.60158178 0.45110965 T T T # 93 O21
0.26536273 0.57258717 0.39043306 F F F # 94 O22
0.07729606 0.42732050 0.39043306 F F F # 95 O23
0.23695804 0.39904267 0.45146827 T T T # 96 O24
0.09869606 0.59398717 0.33104202 F F F # 97 O25
0.27045030 0.56558694 0.51109148 T T T # 98 O26
0.07160703 0.43519582 0.51021202 T T T # 99 O27
0.24396273 0.40592050 0.33104202 F F F # 100 O28
0.09869606 0.59398717 0.21225993 F F F # 101 O29
0.26907242 0.57416928 0.63081641 T T T # 102 O30
0.08374326 0.43909266 0.62794046 T T T # 103 O31
0.24396273 0.40592050 0.21225993 F F F # 104 O32
0.10441332 0.93536055 0.56999218 T T T # 105 O33
0.26536273 0.90592050 0.27165097 F F F # 106 O34
0.07729606 0.76065384 0.27165097 F F F # 107 O35
0.23872373 0.73323214 0.57139332 T T T # 108 O36
0.10534680 0.93444773 0.45112340 T T T # 109 O37
0.26536273 0.90592050 0.39043306 F F F # 110 O38
0.07729606 0.76065384 0.39043306 F F F # 111 O39
0.23807634 0.73364019 0.45090707 T T T # 112 O40
0.09869606 0.92732050 0.33104202 F F F # 113 O41
0.27266388 0.90017705 0.51002925 T T T # 114 O42
0.07169756 0.76834548 0.51017773 T T T # 115 O43
0.24396273 0.73925384 0.33104202 F F F # 116 O44
0.09869606 0.92732050 0.21225993 F F F # 117 O45
0.27254854 0.90901853 0.62814999 T T T # 118 O46
0.08226310 0.77381544 0.62935557 T T T # 119 O47
0.24396273 0.73925384 0.21225993 F F F # 120 O48
0.43803305 0.26331295 0.57201963 T T T # 121 O49
0.59869606 0.23925384 0.27165097 F F F # 122 O50
0.41062940 0.09398717 0.27165097 F F F # 123 O51
0.57358018 0.06980822 0.57232808 T T T # 124 O52
0.43823723 0.26725686 0.45101886 T T T # 125 O53
0.59869606 0.23925384 0.39043306 F F F # 126 O54
0.41062940 0.09398717 0.39043306 F F F # 127 O55
0.57134985 0.06664888 0.45054974 T T T # 128 O56
0.43202940 0.26065384 0.33104202 F F F # 129 O57
0.60631062 0.23426654 0.51038458 T T T # 130 O58
0.40427096 0.10097822 0.51104725 T T T # 131 O59
0.57729606 0.07258717 0.33104202 F F F # 132 O60
0.43202940 0.26065384 0.21225993 F F F # 133 O61
0.61220357 0.25117355 0.62732859 T T T # 134 O62
0.40110953 0.08713555 0.63141219 T T T # 135 O63
0.57729606 0.07258717 0.21225993 F F F # 136 O64
0.43500419 0.59770265 0.57017947 T T T # 137 O65
0.59869606 0.57258717 0.27165097 F F F # 138 O66
0.41062940 0.42732050 0.27165097 F F F # 139 O67
0.56757446 0.40052846 0.57104627 T T T # 140 O68
0.43794800 0.59961730 0.45095752 T T T # 141 O69
0.59869606 0.57258717 0.39043306 F F F # 142 O70
0.41062940 0.42732050 0.39043306 F F F # 143 O71
0.57041827 0.39945531 0.45152845 T T T # 144 O72
0.43202940 0.59398717 0.33104202 F F F # 145 O73
0.60506184 0.56528582 0.51049124 T T T # 146 O74
0.40237676 0.43221626 0.51107564 T T T # 147 O75
0.57729606 0.40592050 0.33104202 F F F # 148 O76
0.43202940 0.59398717 0.21225993 F F F # 149 O77
0.60732898 0.57649897 0.62905007 T T T # 150 O78
0.40991685 0.43261744 0.63214640 T T T # 151 O79
0.57729606 0.40592050 0.21225993 F F F # 152 O80
0.44051953 0.93599636 0.56911608 T T T # 153 O81
0.59869606 0.90592050 0.27165097 F F F # 154 O82
0.41062940 0.76065384 0.27165097 F F F # 155 O83
0.56775494 0.72978086 0.57094979 T T T # 156 O84
0.43907342 0.93460123 0.45138836 T T T # 157 O85
0.59869606 0.90592050 0.39043306 F F F # 158 O86
0.41062940 0.76065384 0.39043306 F F F # 159 O87
0.57032203 0.73199368 0.45135148 T T T # 160 O88
0.43202940 0.92732050 0.33104202 F F F # 161 O89
0.60483815 0.89877311 0.51103949 T T T # 162 O90
0.40442222 0.76692461 0.50947116 T T T # 163 O91
0.57729606 0.73925384 0.33104202 F F F # 164 O92
0.43202940 0.92732050 0.21225993 F F F # 165 O93
0.59057877 0.89609888 0.63058669 T T T # 166 O94
0.41421995 0.77023762 0.62861586 T T T # 167 O95
0.57729606 0.73925384 0.21225993 F F F # 168 O96
0.77560207 0.27065086 0.57048698 T T T # 169 O97
0.93202940 0.23925384 0.27165097 F F F # 170 O98
0.74396273 0.09398717 0.27165097 F F F # 171 O99
0.90207015 0.06239009 0.56995575 T T T # 172 O100
0.77249168 0.26764368 0.45105495 T T T # 173 O101
0.93202940 0.23925384 0.39043306 F F F # 174 O102
0.74396273 0.09398717 0.39043306 F F F # 175 O103
0.90335927 0.06509037 0.45150766 T T T # 176 O104
0.76536273 0.26065384 0.33104202 F F F # 177 O105
0.93804373 0.23184546 0.50973543 T T T # 178 O106
0.73766127 0.10107047 0.51056567 T T T # 179 O107
0.91062940 0.07258717 0.33104202 F F F # 180 O108
0.76536273 0.26065384 0.21225993 F F F # 181 O109
0.92315067 0.22734716 0.62741672 T T T # 182 O110
0.74935110 0.10510100 0.63052774 T T T # 183 O111
0.91062940 0.07258717 0.21225993 F F F # 184 O112
0.77450355 0.59981437 0.57081766 T T T # 185 O113
0.93202940 0.57258717 0.27165097 F F F # 186 O114
0.74396273 0.42732050 0.27165097 F F F # 187 O115
0.90801036 0.39903695 0.57066768 T T T # 188 O116
0.77194710 0.60069330 0.45156135 T T T # 189 O117
0.93202940 0.57258717 0.39043306 F F F # 190 O118
0.74396273 0.42732050 0.39043306 F F F # 191 O119
0.90487324 0.40005119 0.45061448 T T T # 192 O120
0.76536273 0.59398717 0.33104202 F F F # 193 O121
0.93901189 0.56755850 0.51019194 T T T # 194 O122
0.73810207 0.43412531 0.51018534 T T T # 195 O123
0.91062940 0.40592050 0.33104202 F F F # 196 O124
0.76536273 0.59398717 0.21225993 F F F # 197 O125
0.92630471 0.56284902 0.62950631 T T T # 198 O126
0.73741141 0.42691234 0.62988241 T T T # 199 O127
0.91062940 0.40592050 0.21225993 F F F # 200 O128
0.76641497 0.93138251 0.57257750 T T T # 201 O129
0.93202940 0.90592050 0.27165097 F F F # 202 O130
0.74396273 0.76065384 0.27165097 F F F # 203 O131
0.90492378 0.73509769 0.57286300 T T T # 204 O132
0.77098926 0.93309589 0.45076895 T T T # 205 O133
0.93202940 0.90592050 0.39043306 F F F # 206 O134
0.74396273 0.76065384 0.39043306 F F F # 207 O135
0.90395872 0.73300440 0.45096803 T T T # 208 O136
0.76536273 0.92732050 0.33104202 F F F # 209 O137
0.93716133 0.89864831 0.51088261 T T T # 210 O138
0.73649174 0.76564724 0.51101816 T T T # 211 O139
0.91062940 0.73925384 0.33104202 F F F # 212 O140
0.76536273 0.92732050 0.21225993 F F F # 213 O141
0.93923770 0.91265465 0.63028472 T T T # 214 O142
0.73466552 0.75566607 0.63171912 T T T # 215 O143
0.91062940 0.73925384 0.21225993 F F F # 216 O144
0.46947190 0.63024061 0.69799743 T T T # 217 O885
0.11739179 0.30455861 0.69923975 T T T # 218 O146
0.12649155 0.63846682 0.70075836 T T T # 219 O293
0.14843152 0.97037805 0.70240886 T T T # 220 O441
0.47099020 0.27087495 0.69679696 T T T # 221 O590
0.56179416 0.05521611 0.69582983 T T T # 222 O740
0.88079175 0.35691112 0.70066636 T T T # 223 O891
0.89820230 0.71427302 0.69625360 T T T # 224 O1043
0.78608298 0.95160247 0.69781673 T T T # 225 O1196
0.55568359 0.63304911 0.78281521 T T T # 226 O154
0.44329821 0.63785703 0.82305905 T T T # 227 Si
0.37030711 0.51959289 0.82961285 T T T # 228 C1
0.49363914 0.66628038 0.89161253 T T T # 229 C2
0.35073717 0.73940829 0.80649362 T T T # 230 C3
0.64376621 0.57509983 0.79397388 T T T # 231 C4
0.33423502 0.50096734 0.79138124 T T T # 232 H1
0.41842132 0.45997380 0.84162446 T T T # 233 H2
0.31324705 0.52476405 0.86132807 T T T # 234 H3
0.54301679 0.60718856 0.90284374 T T T # 235 H4
0.53301798 0.73512680 0.88823776 T T T # 236 H5
0.43699853 0.67284616 0.92282397 T T T # 237 H6
0.29321779 0.74307518 0.83821783 T T T # 238 H7
0.38598833 0.81072114 0.80585776 T T T # 239 H8
0.31386902 0.72659923 0.76773886 T T T # 240 H9
0.52558191 0.62759673 0.72633266 T T T # 241 H111
0.06676253 0.34865299 0.71188350 T T T # 242 H17
0.15324811 0.57949772 0.71704122 T T T # 243 H35
0.19146172 0.92605192 0.72112330 T T T # 244 H54
0.50034364 0.20924660 0.70758085 T T T # 245 H74
0.62452641 0.03152713 0.70852300 T T T # 246 H95
0.90177921 0.29885052 0.71989821 T T T # 247 H117
0.96323622 0.69372861 0.70712243 T T T # 248 H140
0.81254388 0.89218538 0.71318939 T T T # 249 H164
0.62806182 0.49694025 0.79159174 T T T # 250 H19
0.70720681 0.58769461 0.76558234 T T T # 251 H20
0.66970617 0.59366066 0.83481647 T T T # 252 H21