./iterations/neb0_image07_iter263.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 {} {0.478296414923 0.214150712588 0.501358370457} O1 1 1
14 {} {0.336631076159 0.211851905262 0.585182350721} Si1 2 1
14 {} {0.613748620963 0.294283813108 0.454697584606} Si2 3 1
8 {} {0.583868743061 0.453881069842 0.429460689046} O2 4 1
8 {} {0.313169692083 0.352784448625 0.665539258422} O3 5 1
14 {} {0.290467796067 0.514949221411 0.64689801597} Si3 6 1
14 {} {0.496413723026 0.591932866781 0.430594913245} Si4 7 1
1 {} {0.342552415922 0.104646497514 0.687282804713} H1 8 1
1 {} {0.227377616808 0.190281804359 0.485683426005} H2 9 1
1 {} {0.661929636516 0.234522982522 0.327286819767} H3 10 1
1 {} {0.716307924962 0.282143534621 0.562027612377} H4 11 1
1 {} {0.14464903541 0.542593262868 0.647605061758} H5 12 1
1 {} {0.363248566229 0.582909736292 0.758089193509} H6 13 1
1 {} {0.337790710099 0.927441917213 0.499286199236} H7 14 1
1 {} {0.471487343752 0.635387835832 0.29095430961} H8 15 1
1 {} {0.571735972208 0.694368202878 0.507135762727} H10 16 1
8 {} {0.350019534866 0.565144286357 0.501915596856} O 17 1
1 {} {0.31039098886 0.879243737741 0.550059732629} 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
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
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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2 14 6 {0 0 0} 0
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