./iterations/neb0_image07_iter172.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.471272819167 0.240773360204 0.493567139063} O1 1 1
14 {} {0.332300778498 0.222099626307 0.579246718033} Si1 2 1
14 {} {0.616118863452 0.304187612996 0.451617528394} Si2 3 1
8 {} {0.598960221469 0.464283323404 0.418455398663} O2 4 1
8 {} {0.304298500476 0.347789416804 0.682919750054} O3 5 1
14 {} {0.291088921786 0.510273774701 0.655613628207} Si3 6 1
14 {} {0.496197217511 0.591843750747 0.437791806514} Si4 7 1
1 {} {0.344085997215 0.100069231403 0.662491645777} H1 8 1
1 {} {0.222155127392 0.213489225524 0.479473593772} H2 9 1
1 {} {0.66417577228 0.237299511754 0.328025001687} H3 10 1
1 {} {0.712664016059 0.282475932393 0.56391203444} H4 11 1
1 {} {0.147936152475 0.548967271997 0.656830849236} H5 12 1
1 {} {0.368795486173 0.584309466475 0.758058481657} H6 13 1
1 {} {0.3478562626 0.899348620064 0.495318136881} H7 14 1
1 {} {0.459420944844 0.649680699844 0.305621904081} H8 15 1
1 {} {0.562970332749 0.691604445961 0.526313238938} H10 16 1
8 {} {0.353537708837 0.544145577016 0.507816476776} O 17 1
1 {} {0.316250857198 0.839876967148 0.527984497268} 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