Stage_1/ATOMS POSCAR output for 779: TiO2_Ana

Status: finished

TiO2_Ana
    1.0
            7.61567355 0.00000000 0.00000000 
            0.00000000 7.61567355 0.00000000 
            0.00000000 0.00000000 9.67256115 
  Ti O
  16 32
Direct
        0.25000000 0.25000000 0.50000000      	#	1      	Ti1
        0.25000000 0.00000000 0.75000000      	#	2      	Ti2
        0.00000000 0.00000000 0.00000000      	#	3      	Ti3
        0.00000000 0.25000000 0.25000000      	#	4      	Ti4
        0.75000000 0.25000000 0.50000000      	#	5      	Ti13
        0.75000000 0.00000000 0.75000000      	#	6      	Ti14
        0.50000000 0.00000000 0.00000000      	#	7      	Ti15
        0.50000000 0.25000000 0.25000000      	#	8      	Ti16
        0.25000000 0.75000000 0.50000000      	#	9      	Ti25
        0.25000000 0.50000000 0.75000000      	#	10     	Ti26
        0.00000000 0.50000000 0.00000000      	#	11     	Ti27
        0.00000000 0.75000000 0.25000000      	#	12     	Ti28
        0.75000000 0.75000000 0.50000000      	#	13     	Ti37
        0.75000000 0.50000000 0.75000000      	#	14     	Ti38
        0.50000000 0.50000000 0.00000000      	#	15     	Ti39
        0.50000000 0.75000000 0.25000000      	#	16     	Ti40
        0.00000000 0.25000000 0.45705292      	#	17     	O5
        0.25000000 0.25000000 0.70705292      	#	18     	O6
        0.25000000 0.00000000 0.54294708      	#	19     	O7
        0.00000000 0.00000000 0.79294708      	#	20     	O8
        0.25000000 0.00000000 0.95705292      	#	21     	O9
        0.00000000 0.00000000 0.20705292      	#	22     	O10
        0.00000000 0.25000000 0.04294708      	#	23     	O11
        0.25000000 0.25000000 0.29294708      	#	24     	O12
        0.50000000 0.25000000 0.45705292      	#	25     	O17
        0.75000000 0.25000000 0.70705292      	#	26     	O18
        0.75000000 0.00000000 0.54294708      	#	27     	O19
        0.50000000 0.00000000 0.79294708      	#	28     	O20
        0.75000000 0.00000000 0.95705292      	#	29     	O21
        0.50000000 0.00000000 0.20705292      	#	30     	O22
        0.50000000 0.25000000 0.04294708      	#	31     	O23
        0.75000000 0.25000000 0.29294708      	#	32     	O24
        0.00000000 0.75000000 0.45705292      	#	33     	O29
        0.25000000 0.75000000 0.70705292      	#	34     	O30
        0.25000000 0.50000000 0.54294708      	#	35     	O31
        0.00000000 0.50000000 0.79294708      	#	36     	O32
        0.25000000 0.50000000 0.95705292      	#	37     	O33
        0.00000000 0.50000000 0.20705292      	#	38     	O34
        0.00000000 0.75000000 0.04294708      	#	39     	O35
        0.25000000 0.75000000 0.29294708      	#	40     	O36
        0.50000000 0.75000000 0.45705292      	#	41     	O41
        0.75000000 0.75000000 0.70705292      	#	42     	O42
        0.75000000 0.50000000 0.54294708      	#	43     	O43
        0.50000000 0.50000000 0.79294708      	#	44     	O44
        0.75000000 0.50000000 0.95705292      	#	45     	O45
        0.50000000 0.50000000 0.20705292      	#	46     	O46
        0.50000000 0.75000000 0.04294708      	#	47     	O47
        0.75000000 0.75000000 0.29294708      	#	48     	O48