./iterations/neb0_image03_iter113.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 {} {0.466493747353 0.238704200572 0.485668642614} O1 1 1
14 {} {0.328667661617 0.23584284457 0.57528861943} Si1 2 1
14 {} {0.586801439314 0.338558399144 0.434222885386} Si2 3 1
8 {} {0.526189669988 0.48181949907 0.38503431213} O2 4 1
8 {} {0.323188265466 0.363122218691 0.678441566911} O3 5 1
14 {} {0.269794586885 0.513627826131 0.714131880507} Si3 6 1
14 {} {0.537528842071 0.646732219982 0.380207736877} Si4 7 1
1 {} {0.330342434438 0.110600346427 0.655891786094} H1 8 1
1 {} {0.211266567271 0.239223645466 0.483373296497} H2 9 1
1 {} {0.650978227697 0.270889262673 0.318481742701} H3 10 1
1 {} {0.683473999771 0.35894500907 0.546557923885} H4 11 1
1 {} {0.121367326702 0.515201756892 0.722996927884} H5 12 1
1 {} {0.332746460366 0.55514348786 0.84210812035} H6 13 1
1 {} {0.405148549217 0.708206725854 0.355060301541} H7 14 1
1 {} {0.628018538562 0.682838812131 0.267154871488} H8 15 1
1 {} {0.593701961381 0.699320348261 0.507813748876} H10 16 1
8 {} {0.320125066553 0.610119066901 0.589467797768} O 17 1
1 {} {0.294252784969 0.703622310521 0.589155799427} 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