./iterations/neb0_image06_iter48.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.469847189532 0.222189854821 0.48248226737} O1 1 1
14 {} {0.331856225082 0.228510023107 0.57081674111} Si1 2 1
14 {} {0.594151921674 0.320947253742 0.441969481481} Si2 3 1
8 {} {0.537629926427 0.468436651605 0.404865412688} O2 4 1
8 {} {0.333576287948 0.359111387963 0.667721591668} O3 5 1
14 {} {0.2941707662 0.518018868675 0.684468225468} Si3 6 1
14 {} {0.498875657847 0.619740672242 0.451262521907} Si4 7 1
1 {} {0.329611679131 0.112430900237 0.661259067799} H1 8 1
1 {} {0.214468630217 0.234172144939 0.480087325474} H2 9 1
1 {} {0.659650646202 0.25730564914 0.325588538732} H3 10 1
1 {} {0.69121962794 0.333942729542 0.55340165799} H4 11 1
1 {} {0.144541496802 0.53497149566 0.685186109599} H5 12 1
1 {} {0.346544414619 0.569899371145 0.814256095951} H6 13 1
1 {} {0.363620759996 0.78687895732 0.424459922153} H7 14 1
1 {} {0.507041511589 0.68314298609 0.312555938975} H8 15 1
1 {} {0.597528825198 0.68727076488 0.53760227263} H10 16 1
8 {} {0.365782584499 0.593568885964 0.555836066822} O 17 1
1 {} {0.329967972608 0.741979357217 0.477238744889} 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