./iterations/neb0_image02_iter174.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.464010845321 0.253155781865 0.490320319106} O1 1 1
14 {} {0.328434604473 0.239613880181 0.581789125955} Si1 2 1
14 {} {0.586446782327 0.343828572454 0.429997443835} Si2 3 1
8 {} {0.529086028802 0.485624292257 0.370012711827} O2 4 1
8 {} {0.319159339073 0.361644590407 0.69121384174} O3 5 1
14 {} {0.251331399585 0.507878922508 0.725972555376} Si3 6 1
14 {} {0.550549141332 0.648719735287 0.362298760284} Si4 7 1
1 {} {0.337414368037 0.110911958646 0.656399302958} H1 8 1
1 {} {0.209631356926 0.241833576824 0.491236161419} H2 9 1
1 {} {0.647356235139 0.266330247273 0.318876150483} H3 10 1
1 {} {0.684486713031 0.372669951201 0.538705490985} H4 11 1
1 {} {0.104697284594 0.491359918533 0.74161702129} H5 12 1
1 {} {0.318385716978 0.557156467617 0.849515728328} H6 13 1
1 {} {0.422899050633 0.713859607107 0.319796740175} H7 14 1
1 {} {0.658507806337 0.681418374322 0.265035956445} H8 15 1
1 {} {0.589736381497 0.701606346163 0.496823469583} H10 16 1
8 {} {0.267540938893 0.61584265187 0.6018116934} O 17 1
1 {} {0.34041210031 0.679063051533 0.599635680113} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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