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
        0.99945941 0.16262323 0.59330716  T T T      	#	1      	Ti1
        0.16541566 0.32975272 0.27555990  F F F      	#	2      	Ti2
        0.99783466 0.16391303 0.46277933  T T T      	#	3      	Ti3
        0.16541566 0.32975272 0.39434199  F F F      	#	4      	Ti4
        0.99874899 0.16308605 0.33495095  F F F      	#	5      	Ti5
        0.16575899 0.33094985 0.51008528  T T T      	#	6      	Ti6
        0.99874899 0.16308605 0.21616886  F F F      	#	7      	Ti7
        0.16650845 0.33035386 0.62583495  T T T      	#	8      	Ti8
        0.00037360 0.49430584 0.59136521  T T T      	#	9      	Ti9
        0.16541566 0.66308605 0.27555990  F F F      	#	10     	Ti10
        0.99798411 0.49740976 0.46261051  T T T      	#	11     	Ti11
        0.16541566 0.66308605 0.39434199  F F F      	#	12     	Ti12
        0.99874899 0.49641939 0.33495095  F F F      	#	13     	Ti13
        0.16409203 0.66397870 0.51009708  T T T      	#	14     	Ti14
        0.99874899 0.49641939 0.21616886  F F F      	#	15     	Ti15
        0.16506917 0.66309425 0.62578533  T T T      	#	16     	Ti16
        0.99701010 0.82859668 0.59341347  T T T      	#	17     	Ti17
        0.16541566 0.99641939 0.27555990  F F F      	#	18     	Ti18
        0.99714775 0.83049098 0.46317415  T T T      	#	19     	Ti19
        0.16541566 0.99641939 0.39434199  F F F      	#	20     	Ti20
        0.99874899 0.82975272 0.33495095  F F F      	#	21     	Ti21
        0.16331743 0.99776092 0.50999050  T T T      	#	22     	Ti22
        0.99874899 0.82975272 0.21616886  F F F      	#	23     	Ti23
        0.16477134 0.99570989 0.62607597  T T T      	#	24     	Ti24
        0.33127803 0.16277442 0.59286797  T T T      	#	25     	Ti25
        0.49874899 0.32975272 0.27555990  F F F      	#	26     	Ti26
        0.33119673 0.16402254 0.46277355  T T T      	#	27     	Ti27
        0.49874899 0.32975272 0.39434199  F F F      	#	28     	Ti28
        0.33208232 0.16308605 0.33495095  F F F      	#	29     	Ti29
        0.49778163 0.33085258 0.51005047  T T T      	#	30     	Ti30
        0.33208232 0.16308605 0.21616886  F F F      	#	31     	Ti31
        0.49853026 0.32914119 0.62592361  T T T      	#	32     	Ti32
        0.33542420 0.49966499 0.59370045  T T T      	#	33     	Ti33
        0.49874899 0.66308605 0.27555990  F F F      	#	34     	Ti34
        0.33226217 0.49858792 0.46344784  T T T      	#	35     	Ti35
        0.49874899 0.66308605 0.39434199  F F F      	#	36     	Ti36
        0.33208232 0.49641939 0.33495095  F F F      	#	37     	Ti37
        0.49712619 0.66339643 0.51400862  T T T      	#	38     	Ti38
        0.33208232 0.49641939 0.21616886  F F F      	#	39     	Ti39
        0.50032047 0.66464491 0.63561348  T T T      	#	40     	Ti40
        0.32837478 0.83266360 0.58976655  T T T      	#	41     	Ti41
        0.49874899 0.99641939 0.27555990  F F F      	#	42     	Ti42
        0.33136542 0.83019375 0.46213258  T T T      	#	43     	Ti43
        0.49874899 0.99641939 0.39434199  F F F      	#	44     	Ti44
        0.33208232 0.82975272 0.33495095  F F F      	#	45     	Ti45
        0.49757781 0.99738422 0.51008124  T T T      	#	46     	Ti46
        0.33208232 0.82975272 0.21616886  F F F      	#	47     	Ti47
        0.49780344 0.99658524 0.62606218  T T T      	#	48     	Ti48
        0.66493639 0.16273419 0.59246438  T T T      	#	49     	Ti49
        0.83208232 0.32975272 0.27555990  F F F      	#	50     	Ti50
        0.66437666 0.16366726 0.46278033  T T T      	#	51     	Ti51
        0.83208232 0.32975272 0.39434199  F F F      	#	52     	Ti52
        0.66541566 0.16308605 0.33495095  F F F      	#	53     	Ti53
        0.83185460 0.32968091 0.50975101  T T T      	#	54     	Ti54
        0.66541566 0.16308605 0.21616886  F F F      	#	55     	Ti55
        0.83251092 0.32832387 0.62567243  T T T      	#	56     	Ti56
        0.66887418 0.49265518 0.58993088  T T T      	#	57     	Ti57
        0.83208232 0.66308605 0.27555990  F F F      	#	58     	Ti58
        0.66459875 0.49832822 0.46233488  T T T      	#	59     	Ti59
        0.83208232 0.66308605 0.39434199  F F F      	#	60     	Ti60
        0.66541566 0.49641939 0.33495095  F F F      	#	61     	Ti61
        0.83164724 0.66465297 0.51140316  T T T      	#	62     	Ti62
        0.66541566 0.49641939 0.21616886  F F F      	#	63     	Ti63
        0.83073534 0.66025731 0.62909662  T T T      	#	64     	Ti64
        0.66116563 0.82938546 0.59225416  T T T      	#	65     	Ti65
        0.83208232 0.99641939 0.27555990  F F F      	#	66     	Ti66
        0.66321196 0.82878130 0.46304203  T T T      	#	67     	Ti67
        0.83208232 0.99641939 0.39434199  F F F      	#	68     	Ti68
        0.66541566 0.82975272 0.33495095  F F F      	#	69     	Ti69
        0.83022394 0.99649733 0.51001624  T T T      	#	70     	Ti70
        0.66541566 0.82975272 0.21616886  F F F      	#	71     	Ti71
        0.83117998 0.99642330 0.62570929  T T T      	#	72     	Ti72
        0.09856508 0.26244088 0.57722085  T T T      	#	73     	O1
        0.25944899 0.23571939 0.27555990  F F F      	#	74     	O2
        0.07138232 0.09045272 0.27555990  F F F      	#	75     	O3
        0.23184769 0.06343636 0.57683157  T T T      	#	76     	O4
        0.09955949 0.26380722 0.45687346  T T T      	#	77     	O5
        0.25944899 0.23571939 0.39434199  F F F      	#	78     	O6
        0.07138232 0.09045272 0.39434199  F F F      	#	79     	O7
        0.23060839 0.06284228 0.45670420  T T T      	#	80     	O8
        0.09278232 0.25711939 0.33495095  F F F      	#	81     	O9
        0.26603923 0.22910453 0.51745651  T T T      	#	82     	O10
        0.06403017 0.09760544 0.51765264  T T T      	#	83     	O11
        0.23804899 0.06905272 0.33495095  F F F      	#	84     	O12
        0.09278232 0.25711939 0.21616886  F F F      	#	85     	O13
        0.26043481 0.23376829 0.64172811  T T T      	#	86     	O14
        0.06960980 0.09187256 0.64219229  T T T      	#	87     	O15
        0.23804899 0.06905272 0.21616886  F F F      	#	88     	O16
        0.09891585 0.59540425 0.57658298  T T T      	#	89     	O17
        0.25944899 0.56905272 0.27555990  F F F      	#	90     	O18
        0.07138232 0.42378605 0.27555990  F F F      	#	91     	O19
        0.23284467 0.39716858 0.57689704  T T T      	#	92     	O20
        0.09923061 0.59691562 0.45646099  T T T      	#	93     	O21
        0.25944899 0.56905272 0.39434199  F F F      	#	94     	O22
        0.07138232 0.42378605 0.39434199  F F F      	#	95     	O23
        0.23158512 0.39616025 0.45672924  T T T      	#	96     	O24
        0.09278232 0.59045272 0.33495095  F F F      	#	97     	O25
        0.26634524 0.56308901 0.51766314  T T T      	#	98     	O26
        0.06453116 0.43073990 0.51720467  T T T      	#	99     	O27
        0.23804899 0.40238605 0.33495095  F F F      	#	100    	O28
        0.09278232 0.59045272 0.21616886  F F F      	#	101    	O29
        0.25908751 0.56859867 0.64219975  T T T      	#	102    	O30
        0.07071232 0.42383808 0.64157865  T T T      	#	103    	O31
        0.23804899 0.40238605 0.21616886  F F F      	#	104    	O32
        0.09729238 0.92896166 0.57691296  T T T      	#	105    	O33
        0.25944899 0.90238605 0.27555990  F F F      	#	106    	O34
        0.07138232 0.75711939 0.27555990  F F F      	#	107    	O35
        0.22863015 0.73128203 0.57588173  T T T      	#	108    	O36
        0.09849298 0.93080857 0.45663722  T T T      	#	109    	O37
        0.25944899 0.90238605 0.39434199  F F F      	#	110    	O38
        0.07138232 0.75711939 0.39434199  F F F      	#	111    	O39
        0.23093757 0.72932123 0.45662820  T T T      	#	112    	O40
        0.09278232 0.92378605 0.33495095  F F F      	#	113    	O41
        0.26512679 0.89626638 0.51611167  T T T      	#	114    	O42
        0.06311948 0.76350250 0.51735013  T T T      	#	115    	O43
        0.23804899 0.73571939 0.33495095  F F F      	#	116    	O44
        0.09278232 0.92378605 0.21616886  F F F      	#	117    	O45
        0.25806948 0.90319582 0.64221153  T T T      	#	118    	O46
        0.06953877 0.75796548 0.64227738  T T T      	#	119    	O47
        0.23804899 0.73571939 0.21616886  F F F      	#	120    	O48
        0.43074874 0.26206273 0.57709536  T T T      	#	121    	O49
        0.59278232 0.23571939 0.27555990  F F F      	#	122    	O50
        0.40471566 0.09045272 0.27555990  F F F      	#	123    	O51
        0.56534086 0.06391135 0.57691256  T T T      	#	124    	O52
        0.43219846 0.26384972 0.45658185  T T T      	#	125    	O53
        0.59278232 0.23571939 0.39434199  F F F      	#	126    	O54
        0.40471566 0.09045272 0.39434199  F F F      	#	127    	O55
        0.56459855 0.06238780 0.45655022  T T T      	#	128    	O56
        0.42611566 0.25711939 0.33495095  F F F      	#	129    	O57
        0.59901507 0.22853695 0.51710654  T T T      	#	130    	O58
        0.39757349 0.09776607 0.51707910  T T T      	#	131    	O59
        0.57138232 0.06905272 0.33495095  F F F      	#	132    	O60
        0.42611566 0.25711939 0.21616886  F F F      	#	133    	O61
        0.59350989 0.23339820 0.64152175  T T T      	#	134    	O62
        0.40252706 0.09226190 0.64176128  T T T      	#	135    	O63
        0.57138232 0.06905272 0.21616886  F F F      	#	136    	O64
        0.43130357 0.59555922 0.58114765  T T T      	#	137    	O65
        0.59278232 0.56905272 0.27555990  F F F      	#	138    	O66
        0.40471566 0.42378605 0.27555990  F F F      	#	139    	O67
        0.56625949 0.39322094 0.57610667  T T T      	#	140    	O68
        0.43313113 0.59779762 0.45821129  T T T      	#	141    	O69
        0.59278232 0.56905272 0.39434199  F F F      	#	142    	O70
        0.40471566 0.42378605 0.39434199  F F F      	#	143    	O71
        0.56444640 0.39596161 0.45670077  T T T      	#	144    	O72
        0.42611566 0.59045272 0.33495095  F F F      	#	145    	O73
        0.59981324 0.56179249 0.51753958  T T T      	#	146    	O74
        0.39814353 0.43122711 0.51789386  T T T      	#	147    	O75
        0.57138232 0.40238605 0.33495095  F F F      	#	148    	O76
        0.42611566 0.59045272 0.21616886  F F F      	#	149    	O77
        0.59805289 0.56178675 0.63496238  T T T      	#	150    	O78
        0.40369980 0.42345637 0.64219659  T T T      	#	151    	O79
        0.57138232 0.40238605 0.21616886  F F F      	#	152    	O80
        0.43047497 0.93190309 0.57613766  T T T      	#	153    	O81
        0.59278232 0.90238605 0.27555990  F F F      	#	154    	O82
        0.40471566 0.75711939 0.27555990  F F F      	#	155    	O83
        0.56496600 0.73111263 0.58068724  T T T      	#	156    	O84
        0.43242727 0.93056239 0.45661758  T T T      	#	157    	O85
        0.59278232 0.90238605 0.39434199  F F F      	#	158    	O86
        0.40471566 0.75711939 0.39434199  F F F      	#	159    	O87
        0.56374815 0.72836354 0.45846271  T T T      	#	160    	O88
        0.42611566 0.92378605 0.33495095  F F F      	#	161    	O89
        0.59877330 0.89570813 0.51734857  T T T      	#	162    	O90
        0.39684151 0.76431502 0.51729216  T T T      	#	163    	O91
        0.57138232 0.73571939 0.33495095  F F F      	#	164    	O92
        0.42611566 0.92378605 0.21616886  F F F      	#	165    	O93
        0.59252015 0.90416604 0.64233789  T T T      	#	166    	O94
        0.39665756 0.76110136 0.63474664  T T T      	#	167    	O95
        0.57138232 0.73571939 0.21616886  F F F      	#	168    	O96
        0.76475429 0.26165379 0.57647956  T T T      	#	169    	O97
        0.92611566 0.23571939 0.27555990  F F F      	#	170    	O98
        0.73804899 0.09045272 0.27555990  F F F      	#	171    	O99
        0.89937043 0.06363263 0.57723513  T T T      	#	172    	O100
        0.76616007 0.26330730 0.45643111  T T T      	#	173    	O101
        0.92611566 0.23571939 0.39434199  F F F      	#	174    	O102
        0.73804899 0.09045272 0.39434199  F F F      	#	175    	O103
        0.89803000 0.06229524 0.45683630  T T T      	#	176    	O104
        0.75944899 0.25711939 0.33495095  F F F      	#	177    	O105
        0.93266893 0.22892138 0.51717408  T T T      	#	178    	O106
        0.73062845 0.09743684 0.51736687  T T T      	#	179    	O107
        0.90471566 0.06905272 0.33495095  F F F      	#	180    	O108
        0.75944899 0.25711939 0.21616886  F F F      	#	181    	O109
        0.92783330 0.23334956 0.64208942  T T T      	#	182    	O110
        0.73653112 0.09210368 0.64146311  T T T      	#	183    	O111
        0.90471566 0.06905272 0.21616886  F F F      	#	184    	O112
        0.76750561 0.59441007 0.57749554  T T T      	#	185    	O113
        0.92611566 0.56905272 0.27555990  F F F      	#	186    	O114
        0.73804899 0.42378605 0.27555990  F F F      	#	187    	O115
        0.89956955 0.39536323 0.57631861  T T T      	#	188    	O116
        0.76626451 0.59777904 0.45743378  T T T      	#	189    	O117
        0.92611566 0.56905272 0.39434199  F F F      	#	190    	O118
        0.73804899 0.42378605 0.39434199  F F F      	#	191    	O119
        0.89828433 0.39551694 0.45652701  T T T      	#	192    	O120
        0.75944899 0.59045272 0.33495095  F F F      	#	193    	O121
        0.93324012 0.56239703 0.51709131  T T T      	#	194    	O122
        0.73149735 0.42999717 0.51624480  T T T      	#	195    	O123
        0.90471566 0.40238605 0.33495095  F F F      	#	196    	O124
        0.75944899 0.59045272 0.21616886  F F F      	#	197    	O125
        0.93044708 0.56563661 0.63923066  T T T      	#	198    	O126
        0.73949953 0.42129659 0.64228525  T T T      	#	199    	O127
        0.90471566 0.40238605 0.21616886  F F F      	#	200    	O128
        0.76425964 0.93093377 0.57649672  T T T      	#	201    	O129
        0.92611566 0.90238605 0.27555990  F F F      	#	202    	O130
        0.73804899 0.75711939 0.27555990  F F F      	#	203    	O131
        0.89924667 0.72998597 0.57937138  T T T      	#	204    	O132
        0.76555132 0.93025588 0.45668551  T T T      	#	205    	O133
        0.92611566 0.90238605 0.39434199  F F F      	#	206    	O134
        0.73804899 0.75711939 0.39434199  F F F      	#	207    	O135
        0.89763492 0.72930406 0.45705828  T T T      	#	208    	O136
        0.75944899 0.92378605 0.33495095  F F F      	#	209    	O137
        0.93195469 0.89526887 0.51781037  T T T      	#	210    	O138
        0.73070770 0.76386980 0.51770865  T T T      	#	211    	O139
        0.90471566 0.73571939 0.33495095  F F F      	#	212    	O140
        0.75944899 0.92378605 0.21616886  F F F      	#	213    	O141
        0.92656356 0.90154272 0.64222350  T T T      	#	214    	O142
        0.73627200 0.76132618 0.63879680  T T T      	#	215    	O143
        0.90471566 0.73571939 0.21616886  F F F      	#	216    	O144
        0.50918521 0.67325923 0.70961556  T T T      	#	217    	O885
        0.46393853 0.69486393 0.78530349  T T T      	#	218    	Si
        0.76265854 0.65132230 0.74096350  T T T      	#	219    	N
        0.36215244 0.61034049 0.78942029  T T T      	#	220    	C1
        0.53828160 0.67451299 0.84433052  T T T      	#	221    	C2
        0.42514990 0.82284974 0.78108121  T T T      	#	222    	C3
        0.82427478 0.72570730 0.75794749  T T T      	#	223    	C4
        0.77754075 0.55720347 0.76184761  T T T      	#	224    	C5
        0.32096429 0.61411196 0.75301154  T T T      	#	225    	H1
        0.38469415 0.53530599 0.79527639  T T T      	#	226    	H2
        0.31597050 0.62806202 0.82228449  T T T      	#	227    	H3
        0.56415178 0.60057287 0.84620429  T T T      	#	228    	H4
        0.59811706 0.72422523 0.84418192  T T T      	#	229    	H5
        0.49856840 0.68573526 0.88008026  T T T      	#	230    	H6
        0.38423549 0.83964501 0.81480209  T T T      	#	231    	H7
        0.48344615 0.87230769 0.77905791  T T T      	#	232    	H8
        0.38346844 0.83615681 0.74657762  T T T      	#	233    	H9
        0.82442892 0.73337071 0.79711871  T T T      	#	234    	H10
        0.88844062 0.70578681 0.74595083  T T T      	#	235    	H11
        0.80924965 0.79531135 0.74272877  T T T      	#	236    	H12
        0.72851782 0.50481477 0.74895391  T T T      	#	237    	H13
        0.84106804 0.53152932 0.75010371  T T T      	#	238    	H14
        0.77644661 0.56275208 0.80132211  T T T      	#	239    	H15
        0.69590748 0.66259609 0.72132842  T T T      	#	240    	H111