./iterations/neb0_image03_iter115.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 {} {0.466343258201 0.239442021861 0.486014612067} O1 1 1
14 {} {0.328543205489 0.235778820093 0.575669533693} Si1 2 1
14 {} {0.586728223529 0.339025949807 0.434188798357} Si2 3 1
8 {} {0.526153061081 0.482338911979 0.384731915631} O2 4 1
8 {} {0.322585104065 0.36243252861 0.679372181142} O3 5 1
14 {} {0.269571834094 0.513106166322 0.714851202758} Si3 6 1
14 {} {0.538186553033 0.647138038847 0.379544988605} Si4 7 1
1 {} {0.330588640257 0.109905769666 0.655481813013} H1 8 1
1 {} {0.210937003716 0.239277001767 0.483946142231} H2 9 1
1 {} {0.650322013499 0.270733120367 0.318537130699} H3 10 1
1 {} {0.683569804822 0.359748537894 0.546312577533} H4 11 1
1 {} {0.121282626872 0.515307334252 0.723062351029} H5 12 1
1 {} {0.332223506473 0.554472379641 0.842850254646} H6 13 1
1 {} {0.406295393171 0.709527789868 0.353727836984} H7 14 1
1 {} {0.629576838398 0.68227796704 0.26660344367} H8 15 1
1 {} {0.593799588456 0.700008773441 0.507344362011} H10 16 1
8 {} {0.320633518643 0.609751454748 0.589846228062} O 17 1
1 {} {0.292745958212 0.702245419272 0.588972581223} 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