iterations/neb0_image08_iter149.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 {} {0.470894749489 0.227566463587 0.49357194706} O1 1 1
14 {} {0.33050121249 0.220508032752 0.576889938299} Si1 2 1
14 {} {0.609673548015 0.302529089954 0.44880526314} Si2 3 1
8 {} {0.584051053578 0.459692688955 0.408585264017} O2 4 1
8 {} {0.319393063105 0.348972955584 0.679507563512} O3 5 1
14 {} {0.301038465721 0.512689558097 0.674162974825} Si3 6 1
14 {} {0.510842691807 0.601010332678 0.451753201085} Si4 7 1
1 {} {0.32861409005 0.0951305708222 0.657349918651} H1 8 1
1 {} {0.217689464511 0.223664349686 0.479446118537} H2 9 1
1 {} {0.662567928791 0.230495103513 0.330546332556} H3 10 1
1 {} {0.705848444755 0.295719355885 0.562121727634} H4 11 1
1 {} {0.158123237163 0.547455509712 0.659397494965} H5 12 1
1 {} {0.363364312727 0.567875432431 0.796160079841} H6 13 1
1 {} {0.322372325415 0.885564622541 0.455954820768} H7 14 1
1 {} {0.464831855397 0.672332774861 0.329165234139} H8 15 1
1 {} {0.607068336749 0.681390808097 0.530889380512} H10 16 1
8 {} {0.37713375311 0.573287350896 0.541468149397} O 17 1
1 {} {0.276077696996 0.826632892614 0.45528241554} 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