iterations/neb0_image07_iter55.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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@data
8 {} {0.470353613779 0.217816217155 0.482577084455} O1 1 1
14 {} {0.332049968826 0.224942623078 0.572089927221} Si1 2 1
14 {} {0.599044665273 0.313451241752 0.442643599107} Si2 3 1
8 {} {0.549394053403 0.463676007735 0.401750657472} O2 4 1
8 {} {0.333205781343 0.35535147746 0.673883709975} O3 5 1
14 {} {0.297739274629 0.51593834501 0.680068329959} Si3 6 1
14 {} {0.500902558682 0.61089428967 0.455467564542} Si4 7 1
1 {} {0.328081846836 0.105288130265 0.659808647433} H1 8 1
1 {} {0.214755518929 0.234062129467 0.4790044075} H2 9 1
1 {} {0.663218368923 0.252046516312 0.323711574191} H3 10 1
1 {} {0.693561657922 0.329208744584 0.557549884511} H4 11 1
1 {} {0.149329269361 0.536535771542 0.676077507498} H5 12 1
1 {} {0.353370363277 0.57127104809 0.80748000987} H6 13 1
1 {} {0.346195778259 0.811788296826 0.417974232141} H7 14 1
1 {} {0.485167544123 0.683991585188 0.327746403318} H8 15 1
1 {} {0.600994948299 0.679833783953 0.541147091258} H10 16 1
8 {} {0.366411489739 0.589417048934 0.550261223653} O 17 1
1 {} {0.326309449566 0.777004703928 0.481816113806} 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
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@data
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14 6 0 0
16 5 0 2
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7 1 0 0
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6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
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	CellOffset2	int	{{0 0 0}}
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@data
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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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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end