./iterations/neb0_image05_iter270.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 {} {0.470764725565 0.267305954864 0.491236982019} O1 1 1
14 {} {0.323637375888 0.234128191911 0.558024954849} Si1 2 1
14 {} {0.612381228516 0.348049497436 0.473851503867} Si2 3 1
8 {} {0.601844947883 0.50438635125 0.525434865789} O2 4 1
8 {} {0.251555513932 0.364777754016 0.622075549762} O3 5 1
14 {} {0.235364631799 0.525817622196 0.653973410149} Si3 6 1
14 {} {0.577698131091 0.656665683634 0.462501829823} Si4 7 1
1 {} {0.341159212625 0.136797690077 0.668387153894} H1 8 1
1 {} {0.242564695376 0.178566021753 0.447003511542} H2 9 1
1 {} {0.64704215056 0.345978582274 0.328161005792} H3 10 1
1 {} {0.714977491477 0.280052756195 0.557794989247} H4 11 1
1 {} {0.132591043676 0.543233622667 0.758038620906} H5 12 1
1 {} {0.365707710349 0.579379568256 0.701701658133} H6 13 1
1 {} {0.535746466271 0.752378088121 0.568512337204} H7 14 1
1 {} {0.47325793973 0.647483235207 0.355070047853} H8 15 1
1 {} {0.705413460204 0.704211075098 0.401043125911} H10 16 1
8 {} {0.169081324698 0.602952632862 0.523472261871} O 17 1
1 {} {0.209298008181 0.600353802473 0.434774395643} 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