./iterations/neb0_image09_iter39.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471692852323 0.212899172639 0.494439304956} O1 1 1
14 {} {0.336011931239 0.216565862713 0.58654071985} Si1 2 1
14 {} {0.602680812718 0.29869910266 0.444978826559} Si2 3 1
8 {} {0.559066873295 0.451060587821 0.401919806673} O2 4 1
8 {} {0.329508543656 0.355383253202 0.674206106547} O3 5 1
14 {} {0.296001005292 0.515985743461 0.669453092103} Si3 6 1
14 {} {0.506818535177 0.599129961445 0.450951516897} Si4 7 1
1 {} {0.341478963579 0.104259495836 0.682789838507} H1 8 1
1 {} {0.21794991135 0.208528580601 0.496452987161} H2 9 1
1 {} {0.658407488723 0.230622699103 0.325819107678} H3 10 1
1 {} {0.702494749305 0.308165351892 0.554970755856} H4 11 1
1 {} {0.149420474859 0.537065556416 0.658467094283} H5 12 1
1 {} {0.34856092998 0.575541204386 0.794987765878} H6 13 1
1 {} {0.323164818173 0.877995820761 0.413869450862} H7 14 1
1 {} {0.480648710121 0.675700865292 0.326472764931} H8 15 1
1 {} {0.610492464159 0.665354810123 0.536593508728} H10 16 1
8 {} {0.368140790329 0.586024510025 0.537205075618} O 17 1
1 {} {0.307546308064 0.853535365761 0.480940274661} 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
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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