./iterations/neb0_image06_iter103.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 {} {0.469836961371 0.224144487624 0.491596988862} O1 1 1
14 {} {0.330663633178 0.222677172745 0.577453596216} Si1 2 1
14 {} {0.596777054232 0.32067960894 0.447465278203} Si2 3 1
8 {} {0.551807073406 0.47270128308 0.409456691557} O2 4 1
8 {} {0.324380398758 0.352811891493 0.678621929355} O3 5 1
14 {} {0.294788625177 0.514543922596 0.673891965795} Si3 6 1
14 {} {0.495422262669 0.621503711984 0.445631234915} Si4 7 1
1 {} {0.327314451984 0.0987926054371 0.659571236794} H1 8 1
1 {} {0.214782606781 0.229271125739 0.484153240457} H2 9 1
1 {} {0.653107030691 0.266851913109 0.321816385395} H3 10 1
1 {} {0.694156636448 0.32513300863 0.560181592968} H4 11 1
1 {} {0.147762745026 0.54013621639 0.668454864162} H5 12 1
1 {} {0.358181354571 0.574360806182 0.794714432709} H6 13 1
1 {} {0.369970052105 0.799387997343 0.44728324123} H7 14 1
1 {} {0.499687460378 0.678791826937 0.307350972963} H8 15 1
1 {} {0.592643442651 0.696778343659 0.531076207838} H10 16 1
8 {} {0.35929515227 0.582408787748 0.538324536244} O 17 1
1 {} {0.329509156363 0.751543257952 0.494013609599} 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