./iterations/neb0_image06_iter250.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 {} {0.473766181396 0.236688526722 0.492796951878} O1 1 1
14 {} {0.327185093344 0.217520372733 0.56345116482} Si1 2 1
14 {} {0.606854574482 0.32830777677 0.465127140818} Si2 3 1
8 {} {0.578605522653 0.485927572635 0.496980482151} O2 4 1
8 {} {0.281705650578 0.352618655829 0.644366724554} O3 5 1
14 {} {0.282510243288 0.516662253893 0.652015276474} Si3 6 1
14 {} {0.490244066384 0.615627621998 0.450602689877} Si4 7 1
1 {} {0.336970898871 0.109818042106 0.664995446712} H1 8 1
1 {} {0.228283298443 0.184813469282 0.456993283532} H2 9 1
1 {} {0.647256999003 0.316739148895 0.321412959079} H3 10 1
1 {} {0.714624639619 0.283867125008 0.557256212575} H4 11 1
1 {} {0.146925998091 0.54888617276 0.703615357482} H5 12 1
1 {} {0.383217075197 0.572478998027 0.74291658456} H6 13 1
1 {} {0.389501609756 0.805933083399 0.520985894198} H7 14 1
1 {} {0.474472594737 0.632958124345 0.304828353454} H8 15 1
1 {} {0.594146021579 0.71919602427 0.488993279818} H10 16 1
8 {} {0.328670553048 0.577493125427 0.504865875335} O 17 1
1 {} {0.325144966759 0.766981913183 0.498854540289} 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
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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