./iterations/neb0_image04_iter61.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.467895474098 0.227234718847 0.482421472333} O1 1 1
14 {} {0.330517816443 0.233522648651 0.573119960106} Si1 2 1
14 {} {0.586752752193 0.33300252249 0.438209369094} Si2 3 1
8 {} {0.520953638523 0.478610657082 0.401221157714} O2 4 1
8 {} {0.329190830105 0.366992692423 0.669329246166} O3 5 1
14 {} {0.277809327743 0.518805519073 0.701137861922} Si3 6 1
14 {} {0.522720626981 0.64436554763 0.404627316365} Si4 7 1
1 {} {0.331006552953 0.117489118363 0.665061790757} H1 8 1
1 {} {0.2128183245 0.233561996454 0.481125430211} H2 9 1
1 {} {0.6533567308 0.272703500352 0.31868106831} H3 10 1
1 {} {0.685493744391 0.348417333508 0.550804535884} H4 11 1
1 {} {0.129226788977 0.527663810038 0.702439750612} H5 12 1
1 {} {0.338489190529 0.563464708415 0.828874757232} H6 13 1
1 {} {0.395881620659 0.725049550676 0.395622616954} H7 14 1
1 {} {0.580523252117 0.684208433927 0.275703104196} H8 15 1
1 {} {0.601375900087 0.692710798933 0.521636671509} H10 16 1
8 {} {0.338065663197 0.609437544255 0.577277960447} O 17 1
1 {} {0.308007893404 0.695276865272 0.543763932448} 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