iterations/neb0_image07_iter27.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 {} {0.469917470222 0.224204487035 0.483764923686} O1 1 1
14 {} {0.332735293702 0.22926431839 0.574772471682} Si1 2 1
14 {} {0.599311710316 0.3150636457 0.439681820843} Si2 3 1
8 {} {0.547576802338 0.464920396489 0.397539367574} O2 4 1
8 {} {0.331862016368 0.361516887773 0.669465779714} O3 5 1
14 {} {0.2935101182 0.521363753151 0.679626978502} Si3 6 1
14 {} {0.49971768662 0.612448371717 0.448475099593} Si4 7 1
1 {} {0.331335792204 0.109424318122 0.663667766127} H1 8 1
1 {} {0.215822393517 0.230966728691 0.481219459966} H2 9 1
1 {} {0.665414120855 0.239905836551 0.327293820682} H3 10 1
1 {} {0.695385480983 0.326130742593 0.554406473295} H4 11 1
1 {} {0.144817540887 0.52308331165 0.693228482518} H5 12 1
1 {} {0.341975571907 0.560239080416 0.813446837171} H6 13 1
1 {} {0.340411890853 0.80844846623 0.416325450727} H7 14 1
1 {} {0.509440995235 0.68006697305 0.315143422008} H8 15 1
1 {} {0.59589495055 0.678053166006 0.535342547979} H10 16 1
8 {} {0.365825410297 0.593557940325 0.546241245489} O 17 1
1 {} {0.329130906793 0.793859541205 0.491416050602} 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
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@data
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14 6 0 0
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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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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
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	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end