iterations/neb0_image07_iter2.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 {} {0.470857093719 0.222303788198 0.490576316666} O1 1 1
14 {} {0.33410051377 0.225628272761 0.581343528379} Si1 2 1
14 {} {0.60404033411 0.304488322901 0.441578708186} Si2 3 1
8 {} {0.56522546252 0.455125886457 0.389863355911} O2 4 1
8 {} {0.327184070636 0.362530056779 0.670480156544} O3 5 1
14 {} {0.285077169811 0.513349069683 0.687284476964} Si3 6 1
14 {} {0.516939685359 0.606536035101 0.423226568619} Si4 7 1
1 {} {0.33712047445 0.111308154149 0.674747538727} H1 8 1
1 {} {0.217559832157 0.219595907983 0.490146399159} H2 9 1
1 {} {0.662042679266 0.231239277623 0.32734664456} H3 10 1
1 {} {0.699164292782 0.315605203579 0.554756733626} H4 11 1
1 {} {0.139795336051 0.520577010765 0.682146625683} H5 12 1
1 {} {0.344890400627 0.56187310783 0.812047687407} H6 13 1
1 {} {0.337347093226 0.847154238009 0.387103865737} H7 14 1
1 {} {0.524214508451 0.682019982505 0.308638609699} H8 15 1
1 {} {0.595114093092 0.669901492011 0.523616653733} H10 16 1
8 {} {0.33836234289 0.600923521601 0.568831448171} O 17 1
1 {} {0.311050757087 0.822358632069 0.517322682429} 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
0 0 1 {0 0 0} 0
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3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
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