iterations/neb0_image03_iter266.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 {} {0.457615408177 0.2667402673 0.486371521706} O1 1 1
14 {} {0.324266656915 0.240789059157 0.577958071296} Si1 2 1
14 {} {0.587170039585 0.349487423463 0.429860442662} Si2 3 1
8 {} {0.540113797893 0.493647188565 0.369229593857} O2 4 1
8 {} {0.30357556283 0.35710828125 0.691642458139} O3 5 1
14 {} {0.252226296644 0.506781750808 0.736537822992} Si3 6 1
14 {} {0.565120021398 0.656463557866 0.365076353235} Si4 7 1
1 {} {0.341736001796 0.111742064 0.649670252965} H1 8 1
1 {} {0.205298461751 0.23835586954 0.487438309619} H2 9 1
1 {} {0.645857070602 0.268911249836 0.31970090552} H3 10 1
1 {} {0.682719128226 0.371490483425 0.541926477144} H4 11 1
1 {} {0.102966753269 0.501821488379 0.747741594468} H5 12 1
1 {} {0.317489370517 0.54132562591 0.865245580246} H6 13 1
1 {} {0.43304000485 0.720892367423 0.341349981416} H7 14 1
1 {} {0.65735510178 0.68969563807 0.253695098157} H8 15 1
1 {} {0.625126636613 0.704098288423 0.492360417427} H10 16 1
8 {} {0.303640699803 0.624231341661 0.631926978417} O 17 1
1 {} {0.264769121035 0.628936102159 0.543325727561} 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