iterations/neb0_image08_iter106.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 {} {0.471162146675 0.220539306395 0.489936129154} O1 1 1
14 {} {0.33230980931 0.220602811268 0.577418273191} Si1 2 1
14 {} {0.603404042128 0.306665384394 0.445083492483} Si2 3 1
8 {} {0.563326447327 0.459753898499 0.401902767998} O2 4 1
8 {} {0.327325592577 0.350757368354 0.677811920927} O3 5 1
14 {} {0.299253696858 0.513001466229 0.676137817371} Si3 6 1
14 {} {0.505987330246 0.604148153731 0.453550260144} Si4 7 1
1 {} {0.328954651501 0.0989367671203 0.661802064211} H1 8 1
1 {} {0.217531605602 0.227581291783 0.48328474214} H2 9 1
1 {} {0.663156065684 0.242359932059 0.325650760631} H3 10 1
1 {} {0.698366843552 0.313736760149 0.559472410226} H4 11 1
1 {} {0.15306758624 0.53880887793 0.666061262648} H5 12 1
1 {} {0.356550686358 0.569581606046 0.80108121246} H6 13 1
1 {} {0.332678805009 0.853290641685 0.42067636308} H7 14 1
1 {} {0.474175917843 0.682145151381 0.331669272728} H8 15 1
1 {} {0.608829234601 0.672663132442 0.535770502018} H10 16 1
8 {} {0.371202344616 0.581845655822 0.544944862287} O 17 1
1 {} {0.302803348368 0.816099774603 0.478803836073} 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
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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