iterations/neb0_image07_iter162.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 {} {0.470359199282 0.241254163979 0.492402581104} O1 1 1
14 {} {0.332538840599 0.22232510966 0.578078651102} Si1 2 1
14 {} {0.616341834885 0.305286722397 0.451607958621} Si2 3 1
8 {} {0.598801424205 0.466723096932 0.418450679075} O2 4 1
8 {} {0.306028965619 0.3482759552 0.682117094642} O3 5 1
14 {} {0.290898703385 0.510264994722 0.656876027878} Si3 6 1
14 {} {0.496226507162 0.594132325152 0.43921858744} Si4 7 1
1 {} {0.342166519834 0.100325882326 0.661477744485} H1 8 1
1 {} {0.221726018616 0.21441172778 0.479061684049} H2 9 1
1 {} {0.664251898317 0.236011772905 0.329121499937} H3 10 1
1 {} {0.712929675578 0.282128028758 0.564038520495} H4 11 1
1 {} {0.146959290226 0.54841450255 0.658171782511} H5 12 1
1 {} {0.369783236115 0.585998949916 0.758757231369} H6 13 1
1 {} {0.348659924395 0.892551474246 0.491116690273} H7 14 1
1 {} {0.454273200417 0.65441859735 0.309738475311} H8 15 1
1 {} {0.566113225216 0.691156301297 0.527014423726} H10 16 1
8 {} {0.354076198106 0.545546451295 0.507970528141} O 17 1
1 {} {0.317951327043 0.8332917615 0.525837677456} 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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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
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
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@end
@data
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5 4 1 {0 0 0} 0
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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