./iterations/neb0_image04_iter86.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image04

@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 {} {0.467018010098 0.232278382673 0.487347368683} O1 1 1
14 {} {0.330199710217 0.229732786931 0.577262204364} Si1 2 1
14 {} {0.583924662194 0.338249322613 0.438862807913} Si2 3 1
8 {} {0.516817208525 0.484232652054 0.40392799183} O2 4 1
8 {} {0.323065150439 0.358881030891 0.67935647541} O3 5 1
14 {} {0.279159554378 0.515073275708 0.700798265801} Si3 6 1
14 {} {0.526572489132 0.649242181364 0.402022200475} Si4 7 1
1 {} {0.328987814045 0.106912121216 0.661205255433} H1 8 1
1 {} {0.213738302707 0.234106756763 0.484772126952} H2 9 1
1 {} {0.648813140816 0.282040178216 0.316822932409} H3 10 1
1 {} {0.681916539574 0.350567947939 0.551262931344} H4 11 1
1 {} {0.13180945462 0.530838835824 0.696249857213} H5 12 1
1 {} {0.339270397759 0.560938722809 0.827652337578} H6 13 1
1 {} {0.399105909543 0.731798870773 0.392422749397} H7 14 1
1 {} {0.591282836825 0.681540029149 0.273850376271} H8 15 1
1 {} {0.605291224126 0.697290010087 0.518314030377} H10 16 1
8 {} {0.343424709687 0.604592827574 0.577350759381} O 17 1
1 {} {0.299689003051 0.684202017958 0.541577312054} 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
1 0 2 {0 0 0} 0
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