./iterations/neb0_image07_iter76.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470046115217 0.220674814364 0.487122718655} O1 1 1
14 {} {0.331974065727 0.224252419118 0.575444658482} Si1 2 1
14 {} {0.599214149642 0.312826630197 0.443871645226} Si2 3 1
8 {} {0.551653380773 0.463307319661 0.403380059277} O2 4 1
8 {} {0.329395751489 0.354219909739 0.67650228488} O3 5 1
14 {} {0.299084524779 0.515754763555 0.678674831161} Si3 6 1
14 {} {0.502824538168 0.610657719776 0.454769676442} Si4 7 1
1 {} {0.326672380116 0.102751786776 0.659271956818} H1 8 1
1 {} {0.217525457371 0.232704375889 0.481899650258} H2 9 1
1 {} {0.661752993811 0.255951747187 0.322170684732} H3 10 1
1 {} {0.692212721559 0.324432042056 0.559370528392} H4 11 1
1 {} {0.152122873165 0.539336148105 0.670417194863} H5 12 1
1 {} {0.354977323929 0.570351513841 0.805898809935} H6 13 1
1 {} {0.351056729678 0.817273068016 0.422285180115} H7 14 1
1 {} {0.481706206094 0.683898914303 0.327930750937} H8 15 1
1 {} {0.604246955069 0.680517070112 0.538610293967} H10 16 1
8 {} {0.368777508488 0.587827410397 0.548934281394} O 17 1
1 {} {0.314842456565 0.775780311689 0.474502750125} 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