./iterations/neb0_image03_iter32.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 {} {0.469713922225 0.233037499576 0.479929777908} O1 1 1
14 {} {0.332008811624 0.240206216159 0.56762779697} Si1 2 1
14 {} {0.593200135982 0.331508526308 0.433943513335} Si2 3 1
8 {} {0.533807333535 0.476798428076 0.385775820149} O2 4 1
8 {} {0.332750220121 0.377322014038 0.659399094904} O3 5 1
14 {} {0.274932687494 0.522393619873 0.705726735377} Si3 6 1
14 {} {0.525063790535 0.642632465386 0.388951837943} Si4 7 1
1 {} {0.32687608442 0.120258341346 0.655533729077} H1 8 1
1 {} {0.215372084394 0.24145698296 0.476180537688} H2 9 1
1 {} {0.663631897497 0.252502661458 0.328993341692} H3 10 1
1 {} {0.687398118113 0.339447524773 0.549351211738} H4 11 1
1 {} {0.127324155661 0.51144493546 0.719147616577} H5 12 1
1 {} {0.340666024892 0.554402277747 0.836224598165} H6 13 1
1 {} {0.389832070751 0.702093595088 0.379336702374} H7 14 1
1 {} {0.593181705036 0.696099571418 0.268189650798} H8 15 1
1 {} {0.57657549901 0.683719867517 0.521574367731} H10 16 1
8 {} {0.311365756546 0.623414419635 0.586298740424} O 17 1
1 {} {0.316385825415 0.723779020683 0.58887291399} 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