./iterations/neb0_image08_iter255.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.472722787391 0.221663543369 0.493843187467} O1 1 1
14 {} {0.331794930832 0.217303502106 0.577357425669} Si1 2 1
14 {} {0.61376479867 0.294783704399 0.452934317316} Si2 3 1
8 {} {0.589920104203 0.454574624782 0.424919882131} O2 4 1
8 {} {0.315205560203 0.350931535779 0.671514955884} O3 5 1
14 {} {0.299352339781 0.514293656294 0.664930938355} Si3 6 1
14 {} {0.509585528162 0.596064860839 0.445865674574} Si4 7 1
1 {} {0.333689578431 0.0991933453493 0.666987423694} H1 8 1
1 {} {0.22088472593 0.21049770993 0.478337308909} H2 9 1
1 {} {0.663327831149 0.232009756542 0.327864386756} H3 10 1
1 {} {0.711058093723 0.279808815668 0.564766046469} H4 11 1
1 {} {0.155954367094 0.552499558542 0.658277390778} H5 12 1
1 {} {0.367344091318 0.570073427984 0.785024762747} H6 13 1
1 {} {0.312572984554 0.91618551856 0.475297806351} H7 14 1
1 {} {0.473021826314 0.65202894751 0.313132603163} H8 15 1
1 {} {0.596710344408 0.687960833956 0.524618452037} H10 16 1
8 {} {0.368699792612 0.571996691169 0.527129490196} O 17 1
1 {} {0.274476537117 0.850647851723 0.478255676838} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
11 5 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end