iterations/neb0_image07_iter254.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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@end
@data
8 {} {0.47702762947 0.216073299056 0.501477122284} O1 1 1
14 {} {0.336172789224 0.211919860158 0.584870722135} Si1 2 1
14 {} {0.614174585508 0.29444978345 0.455063517926} Si2 3 1
8 {} {0.585355106879 0.453624894605 0.429233255361} O2 4 1
8 {} {0.313580830664 0.35225494757 0.667319322649} O3 5 1
14 {} {0.291218985751 0.513763341349 0.64688853793} Si3 6 1
14 {} {0.496453703789 0.591184512218 0.430776208295} Si4 7 1
1 {} {0.342202517591 0.103088376627 0.685251939234} H1 8 1
1 {} {0.226629714512 0.19141080417 0.485814175449} H2 9 1
1 {} {0.661097052636 0.234430000688 0.327333675632} H3 10 1
1 {} {0.717067215497 0.282898534748 0.562280825782} H4 11 1
1 {} {0.146010456131 0.543989300141 0.645811264305} H5 12 1
1 {} {0.363905580155 0.581261298498 0.757664488161} H6 13 1
1 {} {0.338002607285 0.929691709676 0.501498627854} H7 14 1
1 {} {0.471296267382 0.635141524655 0.290639649458} H8 15 1
1 {} {0.569850953363 0.695305084167 0.508580847812} H10 16 1
8 {} {0.350588825164 0.56214038701 0.501106279526} O 17 1
1 {} {0.309450997847 0.879890170917 0.549447239537} 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
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	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
15 6 0 0
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