iterations/neb0_image07_iter292.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
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@end
@data
8 {} {0.48152010112 0.202203421048 0.502653778656} O1 1 1
14 {} {0.339951050177 0.210382406649 0.585852120402} Si1 2 1
14 {} {0.609514019713 0.294042819406 0.456076691126} Si2 3 1
8 {} {0.56611091366 0.44961262118 0.43679324915} O2 4 1
8 {} {0.319598662339 0.360533361287 0.649599550451} O3 5 1
14 {} {0.288906259733 0.520384098376 0.648474513294} Si3 6 1
14 {} {0.496504927317 0.597054436842 0.434057680866} Si4 7 1
1 {} {0.341078663902 0.114092878513 0.698968264457} H1 8 1
1 {} {0.231910382999 0.180949044636 0.48920386282} H2 9 1
1 {} {0.65983120387 0.244899121463 0.324394348781} H3 10 1
1 {} {0.714309278966 0.286004476102 0.562545665567} H4 11 1
1 {} {0.14207661637 0.542256962726 0.653091619694} H5 12 1
1 {} {0.354442346208 0.582169433073 0.766676373279} H6 13 1
1 {} {0.341783019643 0.902919684104 0.480099371023} H7 14 1
1 {} {0.470706974907 0.636356346225 0.293359557649} H8 15 1
1 {} {0.591306675791 0.691198490128 0.499199517763} H10 16 1
8 {} {0.352232461831 0.590331824303 0.513135328905} O 17 1
1 {} {0.308302183827 0.867126513879 0.536876238422} 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
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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3 16 5 {0 0 0} 0
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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