./iterations/neb0_image09_iter149.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 {} {0.47185487391 0.216753628211 0.49454507464} O1 1 1
14 {} {0.334001620737 0.215592540143 0.583430965053} Si1 2 1
14 {} {0.604619375393 0.299141405486 0.444417953871} Si2 3 1
8 {} {0.566432456444 0.452835606488 0.399921759448} O2 4 1
8 {} {0.324956210721 0.350483018204 0.677959636519} O3 5 1
14 {} {0.298503427397 0.512433331875 0.672868640952} Si3 6 1
14 {} {0.508584871587 0.5979772375 0.45225931522} Si4 7 1
1 {} {0.336747147946 0.0969767659066 0.672615675448} H1 8 1
1 {} {0.218227206858 0.212618463503 0.489684597584} H2 9 1
1 {} {0.659549658746 0.229235407518 0.325650968518} H3 10 1
1 {} {0.70359920666 0.303801502838 0.555741894079} H4 11 1
1 {} {0.153382348745 0.54056349965 0.657231566165} H5 12 1
1 {} {0.354605813116 0.569893568301 0.797903260378} H6 13 1
1 {} {0.320123287622 0.896714768829 0.422398578697} H7 14 1
1 {} {0.47336147427 0.677957691585 0.33171156996} H8 15 1
1 {} {0.613591321219 0.66437449255 0.534484250452} H10 16 1
8 {} {0.373891279347 0.579919382497 0.541875087781} O 17 1
1 {} {0.294054546899 0.855245621542 0.47635700765} 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