./iterations/neb0_image03_iter264.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 {} {0.457781692114 0.267246444817 0.486773685496} O1 1 1
14 {} {0.324329448899 0.240830337318 0.578121724006} Si1 2 1
14 {} {0.587283463838 0.349696039034 0.429894352489} Si2 3 1
8 {} {0.53992368698 0.493782270503 0.369095994109} O2 4 1
8 {} {0.303552262933 0.3564190915 0.692130378256} O3 5 1
14 {} {0.252245442185 0.506593143898 0.737020234614} Si3 6 1
14 {} {0.565042813525 0.656547997879 0.364659465887} Si4 7 1
1 {} {0.341783958202 0.111371967534 0.649539089642} H1 8 1
1 {} {0.205016036201 0.238391284273 0.487781492394} H2 9 1
1 {} {0.645154941353 0.268946330724 0.319942416482} H3 10 1
1 {} {0.682594241723 0.371815422416 0.541622860659} H4 11 1
1 {} {0.103061826576 0.50213218935 0.747330530291} H5 12 1
1 {} {0.317299986592 0.540781621125 0.865842729088} H6 13 1
1 {} {0.433744793654 0.721796598771 0.340056215573} H7 14 1
1 {} {0.65826354639 0.689319812303 0.253433495903} H8 15 1
1 {} {0.62442315235 0.7042462299 0.492072917313} H10 16 1
8 {} {0.304582511978 0.623423953396 0.632337951128} O 17 1
1 {} {0.264002331496 0.629177315473 0.543402057491} 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