./iterations/neb0_image07_iter95.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470551541794 0.221604392573 0.490464975802} O1 1 1
14 {} {0.330966961955 0.223104010827 0.578139092888} Si1 2 1
14 {} {0.600175074733 0.312336964526 0.445359392602} Si2 3 1
8 {} {0.557698215457 0.464797078981 0.403110258754} O2 4 1
8 {} {0.326476635142 0.352859843886 0.67965200668} O3 5 1
14 {} {0.298127525487 0.515322071217 0.677499957083} Si3 6 1
14 {} {0.503659706774 0.610728732846 0.452872991394} Si4 7 1
1 {} {0.327072148371 0.100353823535 0.662257356604} H1 8 1
1 {} {0.215724796347 0.230434961346 0.483060435233} H2 9 1
1 {} {0.65936120074 0.254969894036 0.322466722341} H3 10 1
1 {} {0.694525625372 0.32035990984 0.560190894502} H4 11 1
1 {} {0.151871215911 0.541223582917 0.66777402186} H5 12 1
1 {} {0.354927459293 0.569401087377 0.803683444504} H6 13 1
1 {} {0.351607998596 0.822727837517 0.427075217162} H7 14 1
1 {} {0.484106138862 0.682322112731 0.323314061036} H8 15 1
1 {} {0.605162660693 0.683884767011 0.53474803865} H10 16 1
8 {} {0.369935253666 0.585402680242 0.546633539285} O 17 1
1 {} {0.308135971131 0.780684211381 0.47275553877} 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