./iterations/neb0_image05_iter237.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.473244187933 0.253435106352 0.49105386925} O1 1 1
14 {} {0.325718439001 0.229079058384 0.559870564346} Si1 2 1
14 {} {0.606228194566 0.34622054324 0.46994834158} Si2 3 1
8 {} {0.572910897055 0.502777603226 0.509427662334} O2 4 1
8 {} {0.271462300256 0.365570248286 0.63026778514} O3 5 1
14 {} {0.236996836715 0.523267816954 0.660835789802} Si3 6 1
14 {} {0.571140099898 0.656709001959 0.45025397322} Si4 7 1
1 {} {0.338313315585 0.123197711265 0.663730109162} H1 8 1
1 {} {0.231405000425 0.184164939424 0.453597438649} H2 9 1
1 {} {0.647828446152 0.336144361274 0.326699144792} H3 10 1
1 {} {0.713033886211 0.294463688622 0.559516657028} H4 11 1
1 {} {0.136928675839 0.526995797406 0.769554542575} H5 12 1
1 {} {0.363603661994 0.592224729134 0.694788689566} H6 13 1
1 {} {0.500252160036 0.743744927495 0.548013273201} H7 14 1
1 {} {0.493266782034 0.655229017274 0.322306732551} H8 15 1
1 {} {0.710537705179 0.707479841602 0.427458585102} H10 16 1
8 {} {0.17470421528 0.603598530582 0.529625104453} O 17 1
1 {} {0.24251121582 0.628215128351 0.464109926601} 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