iterations/neb0_image08_iter222.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.47204817124 0.22532173828 0.493222009473} O1 1 1
14 {} {0.330714758483 0.218738581449 0.576590427059} Si1 2 1
14 {} {0.613692805086 0.296929645445 0.451352419455} Si2 3 1
8 {} {0.593220703123 0.456643661483 0.417732987593} O2 4 1
8 {} {0.313025150539 0.349028848583 0.676283509694} O3 5 1
14 {} {0.300300179133 0.513406233522 0.66917122399} Si3 6 1
14 {} {0.511893487576 0.596302573839 0.448449530591} Si4 7 1
1 {} {0.331849281149 0.0969429386869 0.661528497162} H1 8 1
1 {} {0.219285528011 0.215934051541 0.477872678122} H2 9 1
1 {} {0.663307450801 0.230121161926 0.328188471158} H3 10 1
1 {} {0.710311515551 0.2844992464 0.564559825927} H4 11 1
1 {} {0.15731883906 0.553126029809 0.659227374726} H5 12 1
1 {} {0.365952551087 0.568549230015 0.791053447894} H6 13 1
1 {} {0.310808012096 0.909610605206 0.474995671055} H7 14 1
1 {} {0.471934521986 0.6535165135 0.316930698953} H8 15 1
1 {} {0.599835151922 0.686778724723 0.527458828558} H10 16 1
8 {} {0.37453454355 0.570030476998 0.533965537185} O 17 1
1 {} {0.270053613121 0.847037605537 0.46247457917} 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
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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
11 5 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 12 5 {0 0 0} 0
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5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end