iterations/neb0_image03_iter49.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 {} {0.468241024699 0.230622051316 0.479802760562} O1 1 1
14 {} {0.330363837812 0.239395241205 0.56858328525} Si1 2 1
14 {} {0.590909069108 0.330925974974 0.434845077019} Si2 3 1
8 {} {0.531309917626 0.475514161889 0.3860284636} O2 4 1
8 {} {0.332595353331 0.373558213257 0.661998049433} O3 5 1
14 {} {0.272795951004 0.519346580091 0.707802468208} Si3 6 1
14 {} {0.526660743314 0.640934487108 0.390256903012} Si4 7 1
1 {} {0.32840146197 0.121208784727 0.658450601033} H1 8 1
1 {} {0.213354019998 0.240318088455 0.476418439887} H2 9 1
1 {} {0.659820677444 0.262906295578 0.32180784237} H3 10 1
1 {} {0.685764869741 0.348532615102 0.549665281619} H4 11 1
1 {} {0.12490893805 0.51500217413 0.719729753098} H5 12 1
1 {} {0.339162560515 0.559857910065 0.8336127564} H6 13 1
1 {} {0.389289630057 0.694070423935 0.377356446249} H7 14 1
1 {} {0.602279322769 0.692516092655 0.271489764742} H8 15 1
1 {} {0.587191545778 0.689504317663 0.518527193592} H10 16 1
8 {} {0.314937143278 0.622041627903 0.583525322403} O 17 1
1 {} {0.31210004583 0.716262927088 0.591157578817} 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