./iterations/neb0_image08_iter180.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 {} {0.471017290579 0.227832623541 0.493205563003} O1 1 1
14 {} {0.32992353702 0.220701499025 0.576745106427} Si1 2 1
14 {} {0.612094036174 0.29988631289 0.450085612429} Si2 3 1
8 {} {0.589444484625 0.458006007729 0.411851360254} O2 4 1
8 {} {0.313845188893 0.347937543076 0.680307227061} O3 5 1
14 {} {0.300637972841 0.511782402763 0.672324211773} Si3 6 1
14 {} {0.512298227907 0.59808743898 0.449927431226} Si4 7 1
1 {} {0.330784993591 0.0972720456467 0.658831152367} H1 8 1
1 {} {0.218283010827 0.221679456196 0.477992302113} H2 9 1
1 {} {0.663313465347 0.231015316889 0.329060646856} H3 10 1
1 {} {0.708158804317 0.290473219646 0.563646889667} H4 11 1
1 {} {0.157483368655 0.549645364488 0.661464771592} H5 12 1
1 {} {0.363434696882 0.567874370344 0.79449983343} H6 13 1
1 {} {0.314949956486 0.896256317036 0.46815464136} H7 14 1
1 {} {0.469447915844 0.663883229726 0.324374940312} H8 15 1
1 {} {0.605523630441 0.684233427646 0.527608512052} H10 16 1
8 {} {0.377226361851 0.569001930318 0.538630454953} O 17 1
1 {} {0.27221931652 0.836949363829 0.452347135285} 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 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
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 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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end