./iterations/neb0_image09_iter276.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.472796850661 0.211054325881 0.494892145} O1 1 1
14 {} {0.333356780148 0.214474265711 0.582127247109} Si1 2 1
14 {} {0.606796884886 0.293257534664 0.447253294511} Si2 3 1
8 {} {0.571241110937 0.449761869179 0.410826479227} O2 4 1
8 {} {0.32266800462 0.351573509364 0.672084781044} O3 5 1
14 {} {0.30032648003 0.514637197395 0.670539943516} Si3 6 1
14 {} {0.512301266104 0.596805140041 0.452471812477} Si4 7 1
1 {} {0.334161782585 0.099449845632 0.676074908471} H1 8 1
1 {} {0.218895091655 0.208739445913 0.486690279858} H2 9 1
1 {} {0.658242666786 0.229134133333 0.323985342358} H3 10 1
1 {} {0.707114422533 0.290373614042 0.557234758891} H4 11 1
1 {} {0.155503904572 0.54575809602 0.660127817253} H5 12 1
1 {} {0.360675372377 0.568002541965 0.79530079976} H6 13 1
1 {} {0.312991124644 0.91872000311 0.437651307015} H7 14 1
1 {} {0.478284224125 0.670030458373 0.328286952798} H8 15 1
1 {} {0.614973074512 0.668834946144 0.533125140771} H10 16 1
8 {} {0.373839377321 0.58241941707 0.539738029211} O 17 1
1 {} {0.275917785621 0.85949154858 0.462646620167} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 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
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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