iterations/neb0_image03_iter82.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.467584638057 0.233696843853 0.482602413209} O1 1 1
14 {} {0.330045117337 0.237328588234 0.572756106757} Si1 2 1
14 {} {0.588597915169 0.334406913811 0.433585174945} Si2 3 1
8 {} {0.526710799355 0.478855433115 0.387456250702} O2 4 1
8 {} {0.325848311254 0.368095698954 0.671060041591} O3 5 1
14 {} {0.271420513549 0.517336641174 0.710217307237} Si3 6 1
14 {} {0.532260944122 0.643777868547 0.386090877163} Si4 7 1
1 {} {0.328223398264 0.115878016792 0.658794289367} H1 8 1
1 {} {0.213734438939 0.239220854458 0.479775713892} H2 9 1
1 {} {0.656844442079 0.269635030574 0.317455256663} H3 10 1
1 {} {0.682516239048 0.353459367776 0.548623492038} H4 11 1
1 {} {0.123691253412 0.513821355552 0.721848542777} H5 12 1
1 {} {0.336130736555 0.559093558639 0.83690117656} H6 13 1
1 {} {0.395276492023 0.698317742404 0.36543040067} H7 14 1
1 {} {0.615679691465 0.687575746073 0.271267931787} H8 15 1
1 {} {0.593710897035 0.694003415517 0.512102033654} H10 16 1
8 {} {0.317251068467 0.616581473924 0.585114829126} O 17 1
1 {} {0.304559214627 0.711433403979 0.589976169867} 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