iterations/neb0_image07_iter166.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	{{}}
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@end
@data
8 {} {0.470723873529 0.241383960128 0.492113157628} O1 1 1
14 {} {0.332647677617 0.222899261576 0.578236940047} Si1 2 1
14 {} {0.616606360808 0.304667218913 0.451524499832} Si2 3 1
8 {} {0.598770159273 0.46612820064 0.418379200218} O2 4 1
8 {} {0.305249037102 0.348463063107 0.682153112256} O3 5 1
14 {} {0.290482461159 0.510442061737 0.656541879302} Si3 6 1
14 {} {0.495193965373 0.59283125621 0.438286548048} Si4 7 1
1 {} {0.343394775854 0.100461649307 0.661878963884} H1 8 1
1 {} {0.221925467856 0.214083306441 0.478607215876} H2 9 1
1 {} {0.664758322169 0.235928052688 0.328866543999} H3 10 1
1 {} {0.713174518877 0.281954679846 0.563954390803} H4 11 1
1 {} {0.147241916769 0.548044091599 0.658704232154} H5 12 1
1 {} {0.369098022078 0.585278502155 0.757777029015} H6 13 1
1 {} {0.347986238484 0.895661385342 0.4929950004} H7 14 1
1 {} {0.456664436564 0.651991575976 0.307768525939} H8 15 1
1 {} {0.563802859264 0.691108040915 0.527049018673} H10 16 1
8 {} {0.3536782147 0.544375210356 0.507435864796} O 17 1
1 {} {0.31868767703 0.836816301843 0.528785713025} 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
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2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
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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