iterations/neb0_image07_iter134.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
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	WyckoffPosition	int	-1
@end
@data
8 {} {0.469838629743 0.228047168743 0.491755044025} O1 1 1
14 {} {0.329902955619 0.222217873388 0.578046531758} Si1 2 1
14 {} {0.606105604636 0.308837064507 0.448144320046} Si2 3 1
8 {} {0.576907125185 0.466527454195 0.41009919331} O2 4 1
8 {} {0.320432208507 0.35199495942 0.679443598083} O3 5 1
14 {} {0.297013851497 0.514677686372 0.667776833218} Si3 6 1
14 {} {0.502675066626 0.607415642564 0.448249680955} Si4 7 1
1 {} {0.330931989065 0.0994473652489 0.660513422598} H1 8 1
1 {} {0.215346417203 0.222469283622 0.483285719303} H2 9 1
1 {} {0.659114741508 0.24120030861 0.326052813621} H3 10 1
1 {} {0.704087890162 0.308501441252 0.561676947264} H4 11 1
1 {} {0.150827615586 0.543218067621 0.661687122776} H5 12 1
1 {} {0.361827307731 0.578052148353 0.786373745592} H6 13 1
1 {} {0.348465030679 0.843866063036 0.448005089932} H7 14 1
1 {} {0.466208638591 0.675889672192 0.3229099169} H8 15 1
1 {} {0.591859667455 0.691286102363 0.533062528858} H10 16 1
8 {} {0.363281181995 0.573464555917 0.530136141157} O 17 1
1 {} {0.315260158874 0.795405038164 0.493839274226} 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
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14 6 0 0
16 5 0 2
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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
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3 16 5 {0 0 0} 0
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end