./iterations/neb0_image06_iter226.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.475044657608 0.229192154664 0.487868370577} O1 1 1
14 {} {0.330716092606 0.215586641188 0.564816492982} Si1 2 1
14 {} {0.608718232849 0.32082661216 0.46202055973} Si2 3 1
8 {} {0.576757010686 0.478984052776 0.485032818991} O2 4 1
8 {} {0.291996535161 0.351107452133 0.65033247084} O3 5 1
14 {} {0.284264428329 0.51576045837 0.650208312082} Si3 6 1
14 {} {0.490212666267 0.612970561204 0.448302538177} Si4 7 1
1 {} {0.333799638493 0.104805844469 0.66404564897} H1 8 1
1 {} {0.226027027256 0.191307719116 0.461853320697} H2 9 1
1 {} {0.649306182634 0.304007716045 0.319849013357} H3 10 1
1 {} {0.714009261274 0.290745957684 0.561737405815} H4 11 1
1 {} {0.146251884628 0.547338192342 0.696970336889} H5 12 1
1 {} {0.385246309116 0.574523781865 0.740675687739} H6 13 1
1 {} {0.387969846094 0.81128878948 0.529004481955} H7 14 1
1 {} {0.469400388358 0.647570352273 0.305774441475} H8 15 1
1 {} {0.590600009543 0.718266541129 0.494553427338} H10 16 1
8 {} {0.32962049745 0.576575794062 0.502305093244} O 17 1
1 {} {0.320145267052 0.781659323348 0.50570772847} 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