./iterations/neb0_image03_iter180.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 {} {0.460106484082 0.262314831029 0.493456696231} O1 1 1
14 {} {0.324855032724 0.236408721509 0.582533752407} Si1 2 1
14 {} {0.583291952704 0.350138816031 0.431583340362} Si2 3 1
8 {} {0.529946902483 0.49273631369 0.372683179084} O2 4 1
8 {} {0.307567522721 0.348947526264 0.700140736096} O3 5 1
14 {} {0.261862832583 0.50453271385 0.731801098891} Si3 6 1
14 {} {0.558579467873 0.655526479463 0.36352843001} Si4 7 1
1 {} {0.338568882782 0.103681738569 0.648536379882} H1 8 1
1 {} {0.205734996633 0.239603395547 0.492181374238} H2 9 1
1 {} {0.639561921559 0.27126310724 0.319344026849} H3 10 1
1 {} {0.683211564429 0.375345267682 0.538950003996} H4 11 1
1 {} {0.112855704029 0.515254804876 0.728993706749} H5 12 1
1 {} {0.318899450625 0.536510684415 0.865136965782} H6 13 1
1 {} {0.432428182056 0.725561816485 0.325563747111} H7 14 1
1 {} {0.661413958891 0.681037776972 0.258230209029} H8 15 1
1 {} {0.608460018273 0.7079433283 0.493928157469} H10 16 1
8 {} {0.32381316404 0.609925262069 0.61973338713} O 17 1
1 {} {0.25892816811 0.655785471641 0.564732607173} 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