./iterations/neb0_image02_iter83.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 {} {0.468221634696 0.237080581066 0.477480063928} O1 1 1
14 {} {0.329612829749 0.243495587368 0.565598096456} Si1 2 1
14 {} {0.594552869503 0.331707707989 0.431405985027} Si2 3 1
8 {} {0.540610447656 0.475585610106 0.374825869479} O2 4 1
8 {} {0.330395851293 0.375063093492 0.663700620146} O3 5 1
14 {} {0.265642992643 0.517099536528 0.714888414241} Si3 6 1
14 {} {0.530733761846 0.639880430783 0.378942467359} Si4 7 1
1 {} {0.324058257794 0.121541009576 0.650562890558} H1 8 1
1 {} {0.213626269641 0.250026503795 0.472443259796} H2 9 1
1 {} {0.665650365444 0.260410532089 0.321887363668} H3 10 1
1 {} {0.68288846066 0.354078755109 0.549526746422} H4 11 1
1 {} {0.120707027877 0.49583333514 0.737097731214} H5 12 1
1 {} {0.338723029728 0.558460668744 0.837633883442} H6 13 1
1 {} {0.390002763957 0.680191121773 0.356297537406} H7 14 1
1 {} {0.617721899043 0.697414331726 0.272190610996} H8 15 1
1 {} {0.577372852849 0.690951867241 0.512082566773} H10 16 1
8 {} {0.280213778469 0.635281556852 0.599117320624} O 17 1
1 {} {0.339351018349 0.708415749815 0.615376561759} 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