iterations/neb0_image06_iter211.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	{{}}
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	WyckoffPosition	int	-1
@end
@data
8 {} {0.474503617795 0.228809363846 0.486831316387} O1 1 1
14 {} {0.331178159156 0.215832955402 0.566028946712} Si1 2 1
14 {} {0.609281522614 0.319700546873 0.460934599382} Si2 3 1
8 {} {0.575401152965 0.477782868159 0.47882629316} O2 4 1
8 {} {0.295363379041 0.351108646613 0.652402995708} O3 5 1
14 {} {0.284755723028 0.51613515469 0.650828281692} Si3 6 1
14 {} {0.490177031599 0.612987633642 0.447186578815} Si4 7 1
1 {} {0.333230615214 0.102300359488 0.664427555676} H1 8 1
1 {} {0.224903721367 0.194843769788 0.463157857674} H2 9 1
1 {} {0.650235168396 0.29938048857 0.318695371952} H3 10 1
1 {} {0.713886353812 0.292913291226 0.563417639035} H4 11 1
1 {} {0.14588356563 0.547149649569 0.69405157456} H5 12 1
1 {} {0.384338195988 0.575906944366 0.741359326277} H6 13 1
1 {} {0.388508123511 0.811229067041 0.529617967218} H7 14 1
1 {} {0.468392870382 0.651577580204 0.306042344427} H8 15 1
1 {} {0.589125689064 0.717007340499 0.497978522138} H10 16 1
8 {} {0.329936500881 0.574835592558 0.503061570621} O 17 1
1 {} {0.320984542398 0.783016673984 0.50620938666} 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
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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
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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
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	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end