iterations/neb0_image07_iter192.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.472337142185 0.235718935861 0.495429116696} O1 1 1
14 {} {0.333110822087 0.219890783613 0.579711047302} Si1 2 1
14 {} {0.61544644632 0.302612393081 0.450888305591} Si2 3 1
8 {} {0.59795986332 0.463216529198 0.42088112472} O2 4 1
8 {} {0.305694451047 0.348353354707 0.679454773813} O3 5 1
14 {} {0.290953355068 0.510581556894 0.653919423449} Si3 6 1
14 {} {0.495906508037 0.590647868363 0.435997081957} Si4 7 1
1 {} {0.345252811858 0.099407439543 0.665248898135} H1 8 1
1 {} {0.221699100381 0.210884284941 0.481463249744} H2 9 1
1 {} {0.663044034284 0.235666923456 0.327068368736} H3 10 1
1 {} {0.712489464275 0.287122989725 0.562420331345} H4 11 1
1 {} {0.147567512005 0.549337963436 0.654157385895} H5 12 1
1 {} {0.368160574754 0.581804216407 0.759747814788} H6 13 1
1 {} {0.345179618977 0.908687170952 0.49858616166} H7 14 1
1 {} {0.46753787562 0.64138438386 0.299852641982} H8 15 1
1 {} {0.558464963755 0.691918712426 0.525023181314} H10 16 1
8 {} {0.352988243142 0.544976313786 0.505071261461} O 17 1
1 {} {0.316293167426 0.850305997135 0.536137648193} 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