iterations/neb0_image07_iter195.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 {} {0.472524700226 0.235218188322 0.495280055261} O1 1 1
14 {} {0.333173727876 0.219506666843 0.579699577379} Si1 2 1
14 {} {0.615466958681 0.302463398868 0.450977901621} Si2 3 1
8 {} {0.598238527426 0.463255807003 0.421124762366} O2 4 1
8 {} {0.30610095804 0.348710500545 0.679114700918} O3 5 1
14 {} {0.290992515414 0.510550073622 0.653759119654} Si3 6 1
14 {} {0.495602861456 0.590760898682 0.436090586554} Si4 7 1
1 {} {0.344945962514 0.0992851239363 0.665485279218} H1 8 1
1 {} {0.221598399184 0.210517878317 0.481604948109} H2 9 1
1 {} {0.662816040642 0.2352822055 0.327149659214} H3 10 1
1 {} {0.71271377402 0.28728521381 0.562450928644} H4 11 1
1 {} {0.14741235784 0.549328605138 0.653813076542} H5 12 1
1 {} {0.368331933763 0.581829272675 0.759756553284} H6 13 1
1 {} {0.345075666625 0.908954108398 0.498345922287} H7 14 1
1 {} {0.467162877504 0.641578238018 0.299710745876} H8 15 1
1 {} {0.558784009115 0.692053398053 0.524976132905} H10 16 1
8 {} {0.352747340434 0.545504061637 0.504987831041} O 17 1
1 {} {0.316397341614 0.850434177851 0.536730035958} 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