./iterations/neb0_image04_iter44.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 {} {0.469155682257 0.228981134015 0.482356075075} O1 1 1
14 {} {0.332911398247 0.23539641592 0.571046078452} Si1 2 1
14 {} {0.589536209785 0.331447962444 0.438134384038} Si2 3 1
8 {} {0.522780363341 0.475755259819 0.399741002416} O2 4 1
8 {} {0.333075307142 0.372069699831 0.660907066839} O3 5 1
14 {} {0.277635348166 0.520231484318 0.700045557482} Si3 6 1
14 {} {0.521406800835 0.642918579086 0.404105896453} Si4 7 1
1 {} {0.331253364828 0.119840861158 0.664213221495} H1 8 1
1 {} {0.213981399981 0.23304985741 0.481349334839} H2 9 1
1 {} {0.655261132072 0.263530798481 0.325799334586} H3 10 1
1 {} {0.687041318348 0.341097084892 0.548305614382} H4 11 1
1 {} {0.1283803055 0.525912592902 0.703488158164} H5 12 1
1 {} {0.33991188731 0.564255172304 0.828056765043} H6 13 1
1 {} {0.39449600573 0.724890975618 0.402109167992} H7 14 1
1 {} {0.573159481713 0.687087329109 0.272192545617} H8 15 1
1 {} {0.593127676072 0.689036743121 0.526127267961} H10 16 1
8 {} {0.335504808443 0.614135377737 0.576902617274} O 17 1
1 {} {0.311467639764 0.702880639775 0.546177925155} 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