iterations/neb0_image07_iter78.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
	WyckoffPosition	int	-1
@end
@data
8 {} {0.470194061937 0.220821652554 0.48779052123} O1 1 1
14 {} {0.33173902712 0.224070793512 0.576127097666} Si1 2 1
14 {} {0.59922318102 0.312839915602 0.444080833171} Si2 3 1
8 {} {0.552126130445 0.463823223737 0.403317623414} O2 4 1
8 {} {0.328801276536 0.353827292108 0.677461730251} O3 5 1
14 {} {0.29919703753 0.515850712932 0.678291422134} Si3 6 1
14 {} {0.503485457685 0.610823544586 0.454489716668} Si4 7 1
1 {} {0.326594495585 0.102224606504 0.659583256182} H1 8 1
1 {} {0.217351257676 0.232406300703 0.482001585183} H2 9 1
1 {} {0.661461274692 0.256265754411 0.321892750148} H3 10 1
1 {} {0.69248878326 0.323578391169 0.559882051272} H4 11 1
1 {} {0.152155071022 0.539816375366 0.669847933249} H5 12 1
1 {} {0.355006862416 0.570029133009 0.805810275495} H6 13 1
1 {} {0.3515247089 0.817802767806 0.423446463527} H7 14 1
1 {} {0.481643852243 0.683545707299 0.327539448632} H8 15 1
1 {} {0.604769768252 0.680984201379 0.538001971082} H10 16 1
8 {} {0.369172117592 0.587629830209 0.548251973184} O 17 1
1 {} {0.313151763771 0.776177760863 0.473241298164} 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
3 2 0 0
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
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end