./iterations/neb0_image06_iter200.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.475041796683 0.225421368424 0.486020907543} O1 1 1
14 {} {0.331212734659 0.216268838455 0.566195003863} Si1 2 1
14 {} {0.608677494388 0.317932923572 0.458062134543} Si2 3 1
8 {} {0.571465936378 0.476135999393 0.468332584141} O2 4 1
8 {} {0.302189946269 0.353453217064 0.65197698212} O3 5 1
14 {} {0.286151639532 0.515603220188 0.653263955808} Si3 6 1
14 {} {0.485920569767 0.614064622018 0.447790664799} Si4 7 1
1 {} {0.335419513891 0.102721633203 0.663437759049} H1 8 1
1 {} {0.224012569989 0.200125067474 0.463754411452} H2 9 1
1 {} {0.654646845669 0.290732378446 0.319447972992} H3 10 1
1 {} {0.712724918016 0.293645304612 0.562957492538} H4 11 1
1 {} {0.145546373461 0.547929760165 0.692760197976} H5 12 1
1 {} {0.381392052409 0.577935725043 0.748737737519} H6 13 1
1 {} {0.389058139552 0.811021335368 0.530319737178} H7 14 1
1 {} {0.468857050938 0.656654557618 0.305190548978} H8 15 1
1 {} {0.58527241994 0.711694985946 0.504384977756} H10 16 1
8 {} {0.330890039935 0.577020785964 0.50554482195} O 17 1
1 {} {0.321605889129 0.784156160948 0.50288020451} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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