./iterations/neb0_image02_iter219.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished
#MD System 2.0

@Title neb0_image02

@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 {} {0.460317170075 0.260125805206 0.491178291556} O1 1 1
14 {} {0.327305009054 0.239223215149 0.584888521936} Si1 2 1
14 {} {0.583813046033 0.347305660325 0.429004666263} Si2 3 1
8 {} {0.529592692107 0.489819395051 0.36749235692} O2 4 1
8 {} {0.314485791383 0.35758766384 0.698116561312} O3 5 1
14 {} {0.246699895218 0.504579338394 0.729768209945} Si3 6 1
14 {} {0.557632788889 0.651745715254 0.358268613059} Si4 7 1
1 {} {0.342243249653 0.109409796667 0.656048032277} H1 8 1
1 {} {0.207739003078 0.240920310119 0.495875519129} H2 9 1
1 {} {0.642945667037 0.268270535616 0.318171825796} H3 10 1
1 {} {0.683413035587 0.377289169293 0.535850861695} H4 11 1
1 {} {0.0999212130878 0.488806975163 0.74521498743} H5 12 1
1 {} {0.31319383685 0.554287224914 0.853213701454} H6 13 1
1 {} {0.433167513665 0.718622560222 0.312765409725} H7 14 1
1 {} {0.668887965437 0.680607393814 0.262536239558} H8 15 1
1 {} {0.595024517164 0.705773047262 0.493213719304} H10 16 1
8 {} {0.263385019775 0.609967628717 0.603506222828} O 17 1
1 {} {0.340318787602 0.66817659233 0.595944301797} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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