iterations/neb0_image07_iter190.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	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.472449136386 0.236436609975 0.495518039747} O1 1 1
14 {} {0.332974765136 0.220155729629 0.579739542862} Si1 2 1
14 {} {0.615448534203 0.302609628005 0.450914584219} Si2 3 1
8 {} {0.59811867517 0.462920223585 0.420707943768} O2 4 1
8 {} {0.305129267271 0.347911040437 0.680121089755} O3 5 1
14 {} {0.291026741359 0.51037636528 0.653803914092} Si3 6 1
14 {} {0.495921174467 0.590288592658 0.436196841839} Si4 7 1
1 {} {0.345689197025 0.0995725645875 0.664832253774} H1 8 1
1 {} {0.221836379132 0.211205665881 0.481064721568} H2 9 1
1 {} {0.663420733525 0.236270772117 0.326977682811} H3 10 1
1 {} {0.712199957962 0.286595348795 0.562418057597} H4 11 1
1 {} {0.147552298259 0.549592681171 0.654322781416} H5 12 1
1 {} {0.368304372676 0.582055115107 0.759417640632} H6 13 1
1 {} {0.345433078341 0.908917704567 0.499508032495} H7 14 1
1 {} {0.467177765876 0.641131548997 0.299955982576} H8 15 1
1 {} {0.558005166085 0.691778594872 0.525156348579} H10 16 1
8 {} {0.3531789642 0.54430767673 0.504660357071} O 17 1
1 {} {0.316219747687 0.850391953413 0.535741998865} 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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2 0 0 0
14 6 0 0
16 5 0 2
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4 1 0 0
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7 1 0 0
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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
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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