iterations/neb0_image04_iter90.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.467120699106 0.232769232209 0.488021799624} O1 1 1
14 {} {0.329724587395 0.229273933992 0.57741445004} Si1 2 1
14 {} {0.583571987456 0.339046632561 0.439506622545} Si2 3 1
8 {} {0.516554876016 0.484384392384 0.403543681067} O2 4 1
8 {} {0.323019383566 0.358032949167 0.68007362534} O3 5 1
14 {} {0.279279261514 0.51465397546 0.700469211431} Si3 6 1
14 {} {0.527102177905 0.650161448562 0.401781156762} Si4 7 1
1 {} {0.329097232743 0.105653333216 0.660132388468} H1 8 1
1 {} {0.213469389618 0.233892275694 0.485111597794} H2 9 1
1 {} {0.64779487916 0.28281392207 0.317340467831} H3 10 1
1 {} {0.682238943518 0.350546982438 0.551292980454} H4 11 1
1 {} {0.131330193032 0.531460860411 0.695078407925} H5 12 1
1 {} {0.340136388471 0.560893570607 0.827605303419} H6 13 1
1 {} {0.400691553664 0.732302364418 0.392824399869} H7 14 1
1 {} {0.592215803603 0.681579035224 0.27266869192} H8 15 1
1 {} {0.605032512107 0.698304791458 0.518384736634} H10 16 1
8 {} {0.343016158129 0.604437189802 0.577744567274} O 17 1
1 {} {0.298690084257 0.682311060034 0.542063891862} 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