./iterations/neb0_image05_iter196.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.473288745423 0.241274119164 0.487840499578} O1 1 1
14 {} {0.327024719128 0.226472631463 0.56327099835} Si1 2 1
14 {} {0.601129741337 0.342217125873 0.466425764829} Si2 3 1
8 {} {0.554138860331 0.497279723033 0.493798061337} O2 4 1
8 {} {0.284544586836 0.362855036053 0.642045319576} O3 5 1
14 {} {0.247276971604 0.521765411832 0.664622056318} Si3 6 1
14 {} {0.559678846707 0.65296809861 0.441006640444} Si4 7 1
1 {} {0.338835096193 0.115802610992 0.662088299056} H1 8 1
1 {} {0.224974941107 0.195753573503 0.459758423734} H2 9 1
1 {} {0.645198826376 0.333514776669 0.324414497053} H3 10 1
1 {} {0.709196256172 0.31029696958 0.564267081395} H4 11 1
1 {} {0.133319471878 0.522013772919 0.760416360127} H5 12 1
1 {} {0.369431697713 0.596165170914 0.712742234909} H6 13 1
1 {} {0.469368647578 0.729740355558 0.53248686507} H7 14 1
1 {} {0.513418129347 0.66659663797 0.298616210979} H8 15 1
1 {} {0.700312054411 0.705346432356 0.447473863811} H10 16 1
8 {} {0.197140705301 0.593986086245 0.523217154236} O 17 1
1 {} {0.261807717579 0.658469439183 0.486567826746} 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