./iterations/neb0_image05_iter69.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.468537522423 0.222541810982 0.48408388171} O1 1 1
14 {} {0.330954069261 0.227249847143 0.573886833491} Si1 2 1
14 {} {0.58930295472 0.327486537857 0.443148179442} Si2 3 1
8 {} {0.526664003323 0.476368898908 0.415314721152} O2 4 1
8 {} {0.329400603179 0.360148183359 0.673096607854} O3 5 1
14 {} {0.288541302825 0.516906253872 0.685861416877} Si3 6 1
14 {} {0.503422311288 0.642309400777 0.430476473635} Si4 7 1
1 {} {0.32855359499 0.109966447129 0.663381288255} H1 8 1
1 {} {0.214849754866 0.232837572123 0.482006868722} H2 9 1
1 {} {0.653803267768 0.274761182997 0.31874853198} H3 10 1
1 {} {0.687880776717 0.340127360134 0.555895969593} H4 11 1
1 {} {0.143139479138 0.538746943865 0.680559492758} H5 12 1
1 {} {0.348076985313 0.570799603875 0.80939808141} H6 13 1
1 {} {0.392929740408 0.764924943748 0.427533410951} H7 14 1
1 {} {0.53270280932 0.678861181367 0.288176636396} H8 15 1
1 {} {0.59964191012 0.69653471193 0.533124508482} H10 16 1
8 {} {0.346230813678 0.599328159491 0.551884942123} O 17 1
1 {} {0.325454204259 0.692618910746 0.51448013709} 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