./iterations/neb0_image08_iter102.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.471406178875 0.219879110055 0.489823695462} O1 1 1
14 {} {0.332422295812 0.220642355264 0.577659749263} Si1 2 1
14 {} {0.603019214014 0.306938631889 0.444917148633} Si2 3 1
8 {} {0.562284293812 0.459717563592 0.40137456638} O2 4 1
8 {} {0.327961649944 0.351184464427 0.677896189862} O3 5 1
14 {} {0.299173496463 0.51320679556 0.675829124209} Si3 6 1
14 {} {0.505479882829 0.604393496138 0.453403408581} Si4 7 1
1 {} {0.329203389255 0.0991932862238 0.662200287215} H1 8 1
1 {} {0.217678431813 0.227339442556 0.48334275581} H2 9 1
1 {} {0.663305430152 0.24322760301 0.325284654098} H3 10 1
1 {} {0.697930676407 0.313904733886 0.559617200514} H4 11 1
1 {} {0.152671822506 0.53863865787 0.665828987517} H5 12 1
1 {} {0.356638116992 0.570140468582 0.800822244709} H6 13 1
1 {} {0.33293171722 0.850767833122 0.419124275378} H7 14 1
1 {} {0.473674373113 0.682798304018 0.332082938638} H8 15 1
1 {} {0.608730305443 0.67191966946 0.536384050161} H10 16 1
8 {} {0.370103957768 0.582786143892 0.544949176115} O 17 1
1 {} {0.305470913681 0.81583941867 0.480517500108} 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