./iterations/neb0_image03_iter148.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.460774545651 0.256252287023 0.492331287817} O1 1 1
14 {} {0.325822055988 0.234273449462 0.582172436911} Si1 2 1
14 {} {0.581669877399 0.347918091674 0.431854690247} Si2 3 1
8 {} {0.524743991294 0.491601507404 0.377106430529} O2 4 1
8 {} {0.311760621901 0.349981837875 0.699128119472} O3 5 1
14 {} {0.26402249389 0.505439288301 0.72640384563} Si3 6 1
14 {} {0.554688852429 0.65292223646 0.368648898628} Si4 7 1
1 {} {0.336358610329 0.101456606841 0.649094209962} H1 8 1
1 {} {0.207904844908 0.23983897902 0.490880661106} H2 9 1
1 {} {0.642689666674 0.273051255853 0.319990667741} H3 10 1
1 {} {0.6825856775 0.373265583047 0.537581197746} H4 11 1
1 {} {0.115434058306 0.51826398519 0.725077794338} H5 12 1
1 {} {0.32276399432 0.541192690862 0.856611600404} H6 13 1
1 {} {0.425055152366 0.717648223842 0.332440438839} H7 14 1
1 {} {0.656111543753 0.680016700894 0.262020506451} H8 15 1
1 {} {0.606836892077 0.710201990558 0.497283857448} H10 16 1
8 {} {0.326000351125 0.606488083272 0.608075938093} O 17 1
1 {} {0.264862963037 0.672705245068 0.574355237358} 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