./iterations/neb0_image06_iter56.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 {} {0.469607654784 0.219906291716 0.482693679672} O1 1 1
14 {} {0.331421379928 0.227525828567 0.572326273843} Si1 2 1
14 {} {0.594596452417 0.319442079332 0.442777838568} Si2 3 1
8 {} {0.538518511143 0.467950135229 0.40525238301} O2 4 1
8 {} {0.332294445776 0.358330585597 0.671799330646} O3 5 1
14 {} {0.294385489751 0.517980700129 0.683806288436} Si3 6 1
14 {} {0.49754987833 0.62014484548 0.451402440736} Si4 7 1
1 {} {0.329505854637 0.110105279817 0.662940621985} H1 8 1
1 {} {0.21340424059 0.233119557682 0.479645578394} H2 9 1
1 {} {0.658155250015 0.261460585686 0.322824029122} H3 10 1
1 {} {0.69131624097 0.334892420566 0.555250335699} H4 11 1
1 {} {0.145768197856 0.537800670703 0.68017125471} H5 12 1
1 {} {0.348565864988 0.571447635673 0.812518136912} H6 13 1
1 {} {0.367598105282 0.785385415567 0.424575489405} H7 14 1
1 {} {0.504281865159 0.682895189896 0.314968122189} H8 15 1
1 {} {0.599269984644 0.689378511137 0.536837735143} H10 16 1
8 {} {0.366033981707 0.59285658822 0.554941193706} O 17 1
1 {} {0.32781272347 0.741895631442 0.476327250701} 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