iterations/neb0_image07_iter212.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 {} {0.474108734051 0.22782235922 0.496438711243} O1 1 1
14 {} {0.334574658233 0.216136621681 0.581397991026} Si1 2 1
14 {} {0.615892191365 0.300394717297 0.45262247055} Si2 3 1
8 {} {0.597710047005 0.461320193845 0.424511635688} O2 4 1
8 {} {0.308672180123 0.348332372373 0.676466668521} O3 5 1
14 {} {0.291099242347 0.510996055676 0.650150934259} Si3 6 1
14 {} {0.496517610737 0.590416777984 0.43368911764} Si4 7 1
1 {} {0.343593420589 0.0982235759451 0.671285363442} H1 8 1
1 {} {0.221867799184 0.204105497833 0.48445178961} H2 9 1
1 {} {0.65983134946 0.233540006105 0.326796421846} H3 10 1
1 {} {0.715736598957 0.287871922948 0.562999784056} H4 11 1
1 {} {0.147740595143 0.550601414286 0.648216977527} H5 12 1
1 {} {0.367615544682 0.579671283055 0.758107501152} H6 13 1
1 {} {0.342271020785 0.920699358709 0.503396431748} H7 14 1
1 {} {0.469762606138 0.635553819187 0.294696823538} H8 15 1
1 {} {0.558561438245 0.693436640118 0.520653802094} H10 16 1
8 {} {0.351097475045 0.549132768245 0.502286430466} O 17 1
1 {} {0.313433398931 0.864262435314 0.54288892826} 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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4 1 0 0
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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}}
	Key	int	0
@end
@data
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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