iterations/neb0_image07_iter73.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 {} {0.470112866834 0.220684751338 0.486813825861} O1 1 1
14 {} {0.332057392988 0.224386116258 0.575249297571} Si1 2 1
14 {} {0.599172313909 0.312717670904 0.443820673487} Si2 3 1
8 {} {0.551429552574 0.463224883402 0.40343015666} O2 4 1
8 {} {0.32963410863 0.354352208167 0.676047476095} O3 5 1
14 {} {0.298928001491 0.515716204141 0.679011503783} Si3 6 1
14 {} {0.50257019772 0.610423056268 0.454977379752} Si4 7 1
1 {} {0.326708835966 0.102946293537 0.659179741204} H1 8 1
1 {} {0.217600610297 0.232795347035 0.481885138058} H2 9 1
1 {} {0.661857918778 0.255796115571 0.322307904094} H3 10 1
1 {} {0.692082434872 0.324742814564 0.559134730864} H4 11 1
1 {} {0.15218977721 0.539113942139 0.670629773812} H5 12 1
1 {} {0.354927774889 0.570447665783 0.805844375035} H6 13 1
1 {} {0.350834434984 0.817123677122 0.421717574166} H7 14 1
1 {} {0.481760595444 0.68408485084 0.327999746853} H8 15 1
1 {} {0.604006386422 0.680286727654 0.53880487191} H10 16 1
8 {} {0.368703287744 0.587940347288 0.549100812257} O 17 1
1 {} {0.315509642777 0.775735293659 0.475102975972} 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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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