./iterations/neb0_image09_iter37.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 {} {0.471868095116 0.213503434002 0.494416978796} O1 1 1
14 {} {0.335862681314 0.216990225755 0.586923507353} Si1 2 1
14 {} {0.60262244507 0.298617049751 0.444907930129} Si2 3 1
8 {} {0.558660381133 0.451225463214 0.40182770914} O2 4 1
8 {} {0.329350144853 0.355182057895 0.674012397624} O3 5 1
14 {} {0.29600248364 0.516516460212 0.669182353659} Si3 6 1
14 {} {0.506960257613 0.598945808789 0.450760089367} Si4 7 1
1 {} {0.341673259108 0.104472998784 0.683015770298} H1 8 1
1 {} {0.218023871481 0.208374327117 0.496582521382} H2 9 1
1 {} {0.658431892484 0.230141796612 0.325982596328} H3 10 1
1 {} {0.702554914489 0.308039228939 0.554825526161} H4 11 1
1 {} {0.14935133385 0.536419243226 0.659320080329} H5 12 1
1 {} {0.347840083915 0.574902209833 0.795345097791} H6 13 1
1 {} {0.323220736803 0.878793014553 0.413071936476} H7 14 1
1 {} {0.481970655951 0.675383617123 0.325601354858} H8 15 1
1 {} {0.610457929754 0.665574989022 0.536397683433} H10 16 1
8 {} {0.368001255929 0.585794700669 0.537292073359} O 17 1
1 {} {0.307233741644 0.853641318551 0.48159238939} 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