./iterations/neb0_image08_iter6.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 {} {0.471533363263 0.220142069533 0.49203730277} O1 1 1
14 {} {0.334576318179 0.221356725517 0.583472274604} Si1 2 1
14 {} {0.603760059896 0.300227081834 0.443387342794} Si2 3 1
8 {} {0.563279815094 0.454467353462 0.392100511928} O2 4 1
8 {} {0.328399524372 0.354918534415 0.673553492527} O3 5 1
14 {} {0.287996951305 0.517452119408 0.681845694479} Si3 6 1
14 {} {0.503446356489 0.599202236929 0.444859527752} Si4 7 1
1 {} {0.339416319499 0.108845735099 0.678721665253} H1 8 1
1 {} {0.217581466032 0.214738871537 0.492663378324} H2 9 1
1 {} {0.660886496738 0.229453817004 0.326512959626} H3 10 1
1 {} {0.701046398859 0.312307543302 0.555086803874} H4 11 1
1 {} {0.138850815365 0.524659632978 0.676066354595} H5 12 1
1 {} {0.345257879284 0.565688534754 0.810099094416} H6 13 1
1 {} {0.327803206855 0.8572676324 0.414171422006} H7 14 1
1 {} {0.511202593639 0.682361031691 0.307306709439} H8 15 1
1 {} {0.601891287145 0.669377622681 0.528808908531} H10 16 1
8 {} {0.360242704559 0.600495436348 0.544526422599} O 17 1
1 {} {0.312914589941 0.839555980361 0.485838131275} 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