./iterations/neb0_image03_iter80.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.467621887749 0.233478263535 0.482415530984} O1 1 1
14 {} {0.330095465063 0.237418461088 0.57257373494} Si1 2 1
14 {} {0.588770260267 0.334197996759 0.433564496063} Si2 3 1
8 {} {0.526861173746 0.478815529647 0.387499514878} O2 4 1
8 {} {0.325936461334 0.368384631799 0.670662368565} O3 5 1
14 {} {0.271561604655 0.517481187112 0.709924175533} Si3 6 1
14 {} {0.532079419057 0.64362519948 0.386402334371} Si4 7 1
1 {} {0.328171273198 0.11618666723 0.658905346667} H1 8 1
1 {} {0.213745395853 0.23927757085 0.479654995098} H2 9 1
1 {} {0.657041211283 0.269455708801 0.317404001028} H3 10 1
1 {} {0.682523940792 0.353370481721 0.548715300752} H4 11 1
1 {} {0.123822893446 0.513850605105 0.721726757813} H5 12 1
1 {} {0.336272888143 0.559281413445 0.8367415554} H6 13 1
1 {} {0.394831293943 0.697835569432 0.365985213537} H7 14 1
1 {} {0.615020304379 0.687706749802 0.271595848423} H8 15 1
1 {} {0.593680922599 0.693778882357 0.512211867314} H10 16 1
8 {} {0.317052974309 0.616457875374 0.585065454903} O 17 1
1 {} {0.30499674024 0.711915160383 0.590009511897} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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