./iterations/neb0_image04_iter206.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.465310479864 0.255033082615 0.488098161875} O1 1 1
14 {} {0.32558932146 0.229305517753 0.570269965492} Si1 2 1
14 {} {0.592944945249 0.348046884071 0.44440826204} Si2 3 1
8 {} {0.547050847455 0.502215080344 0.418586838779} O2 4 1
8 {} {0.291836808499 0.349410251281 0.676506872885} O3 5 1
14 {} {0.25070290735 0.506111237172 0.704331511396} Si3 6 1
14 {} {0.567563843222 0.663958994773 0.399523605829} Si4 7 1
1 {} {0.341287431645 0.104108954159 0.649307969075} H1 8 1
1 {} {0.216290421294 0.217588114583 0.469870985001} H2 9 1
1 {} {0.647625736815 0.290719029554 0.318345627311} H3 10 1
1 {} {0.695369134686 0.344936572474 0.553155488221} H4 11 1
1 {} {0.107514981682 0.516333534675 0.747101422576} H5 12 1
1 {} {0.342698634332 0.556916199346 0.809838677832} H6 13 1
1 {} {0.438286305006 0.732402741424 0.423341224193} H7 14 1
1 {} {0.611212655772 0.691215425232 0.260103012154} H8 15 1
1 {} {0.671535337967 0.712911736492 0.494788848397} H10 16 1
8 {} {0.274797506144 0.586240427597 0.561718017797} O 17 1
1 {} {0.222468718582 0.665064080514 0.541761643754} 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