./iterations/neb0_image04_iter82.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 {} {0.467527904906 0.231773944604 0.486235624947} O1 1 1
14 {} {0.330264023467 0.230349111708 0.576850308034} Si1 2 1
14 {} {0.584276358722 0.337774036193 0.438261074793} Si2 3 1
8 {} {0.517805032122 0.483005419138 0.40428192551} O2 4 1
8 {} {0.323450411622 0.360163135846 0.678076629214} O3 5 1
14 {} {0.279292330375 0.515687834795 0.700652954958} Si3 6 1
14 {} {0.52436805629 0.648324518556 0.402813669278} Si4 7 1
1 {} {0.329065032055 0.108694176529 0.662375069095} H1 8 1
1 {} {0.213853313747 0.234211652113 0.484298014353} H2 9 1
1 {} {0.649785399918 0.280820697456 0.316776283147} H3 10 1
1 {} {0.681628692069 0.35045515733 0.550879358119} H4 11 1
1 {} {0.131800731347 0.530116943294 0.697694445145} H5 12 1
1 {} {0.338530724627 0.561231839625 0.828007134038} H6 13 1
1 {} {0.398431569621 0.730468896275 0.392483180326} H7 14 1
1 {} {0.590171883172 0.681881620848 0.274326551627} H8 15 1
1 {} {0.605538180539 0.696244698381 0.518627954068} H10 16 1
8 {} {0.34288049827 0.605427650105 0.576899654904} O 17 1
1 {} {0.301415980854 0.685886620183 0.541518151572} 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