iterations/neb0_image07_iter139.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 {} {0.470077800342 0.232364132395 0.492644824701} O1 1 1
14 {} {0.330434971033 0.222361328675 0.578128786606} Si1 2 1
14 {} {0.609639828225 0.308154299657 0.448986903328} Si2 3 1
8 {} {0.586663476717 0.467849755517 0.414645011117} O2 4 1
8 {} {0.316984587761 0.351901906953 0.679128244045} O3 5 1
14 {} {0.295608968848 0.514346741254 0.663285238575} Si3 6 1
14 {} {0.50083167847 0.603950890413 0.447118876084} Si4 7 1
1 {} {0.33318701776 0.0988767893694 0.659839625196} H1 8 1
1 {} {0.216029759475 0.218995588638 0.482240694202} H2 9 1
1 {} {0.659994035913 0.236737335295 0.328510069621} H3 10 1
1 {} {0.707025137882 0.300284043946 0.561701297224} H4 11 1
1 {} {0.150691166835 0.544676737903 0.659236673723} H5 12 1
1 {} {0.365357690662 0.581820746091 0.775784996253} H6 13 1
1 {} {0.348488314548 0.856271715497 0.460751825974} H7 14 1
1 {} {0.456343144314 0.671993586079 0.32201193808} H8 15 1
1 {} {0.584928127188 0.692612244927 0.531221054182} H10 16 1
8 {} {0.360414263094 0.565141532498 0.521944050215} O 17 1
1 {} {0.31738608398 0.804178490421 0.503877794346} 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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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}}
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@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