./iterations/neb0_image03_iter144.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 {} {0.46237349785 0.252193810784 0.490710614208} O1 1 1
14 {} {0.326363652335 0.234640654788 0.581162328015} Si1 2 1
14 {} {0.582539806635 0.346560895936 0.431758639457} Si2 3 1
8 {} {0.524967054925 0.489814845893 0.379480630851} O2 4 1
8 {} {0.31342533838 0.351537947966 0.695825529856} O3 5 1
14 {} {0.265705212592 0.507488744146 0.722728968248} Si3 6 1
14 {} {0.551351097625 0.652238025332 0.371489493604} Si4 7 1
1 {} {0.334958508407 0.103005809774 0.650838866538} H1 8 1
1 {} {0.207916018905 0.239775256708 0.489649379848} H2 9 1
1 {} {0.644345072648 0.272655311818 0.318262686365} H3 10 1
1 {} {0.682287025998 0.371941156654 0.539615522203} H4 11 1
1 {} {0.116746087362 0.51789185593 0.724683521835} H5 12 1
1 {} {0.324529553967 0.54463759618 0.853163314679} H6 13 1
1 {} {0.421124846238 0.71492950161 0.336657015918} H7 14 1
1 {} {0.650567015013 0.679126446864 0.264648379999} H8 15 1
1 {} {0.60491731504 0.708761852924 0.498279615225} H10 16 1
8 {} {0.325246644354 0.604671073978 0.60348863549} O 17 1
1 {} {0.270722433347 0.68064724669 0.578614701465} 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