./iterations/neb0_image05_iter229.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 {} {0.474301517394 0.250438882049 0.490832331871} O1 1 1
14 {} {0.325999897856 0.229172200876 0.56005099403} Si1 2 1
14 {} {0.60532241439 0.346304861558 0.469689134119} Si2 3 1
8 {} {0.568882625777 0.502227271063 0.507084936199} O2 4 1
8 {} {0.27383197544 0.36568782166 0.632900792992} O3 5 1
14 {} {0.237937777801 0.523095676433 0.662097582814} Si3 6 1
14 {} {0.570606736829 0.656087081514 0.44818260222} Si4 7 1
1 {} {0.33821012657 0.121809616052 0.661687666754} H1 8 1
1 {} {0.229342526106 0.184882852156 0.455658892614} H2 9 1
1 {} {0.64678328144 0.337106880746 0.326823787462} H3 10 1
1 {} {0.712131461707 0.298224327529 0.560310372063} H4 11 1
1 {} {0.136351163055 0.524234070864 0.770952599834} H5 12 1
1 {} {0.363702060306 0.593985007165 0.693208403212} H6 13 1
1 {} {0.493966978324 0.738878786235 0.547191217623} H7 14 1
1 {} {0.498402848275 0.657943263221 0.316606353633} H8 15 1
1 {} {0.71054298437 0.7068832025 0.42971183018} H10 16 1
8 {} {0.175053763944 0.602456244466 0.529783421193} O 17 1
1 {} {0.248715868001 0.633099986859 0.468285268905} 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