./iterations/neb0_image07_iter52.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470472293486 0.218011301786 0.482253006584} O1 1 1
14 {} {0.331815231489 0.224930605182 0.571701637357} Si1 2 1
14 {} {0.598818891428 0.313043465027 0.442713282979} Si2 3 1
8 {} {0.548999244222 0.463926019522 0.401245027265} O2 4 1
8 {} {0.333609111358 0.355197628361 0.67348065668} O3 5 1
14 {} {0.297454133249 0.515607296498 0.680346706519} Si3 6 1
14 {} {0.501148365011 0.610835309861 0.455002544049} Si4 7 1
1 {} {0.32838492367 0.106083515323 0.659840063178} H1 8 1
1 {} {0.214727092022 0.234101414337 0.479006274115} H2 9 1
1 {} {0.663372833229 0.251381167015 0.32404551107} H3 10 1
1 {} {0.69382563872 0.329593891125 0.55719376969} H4 11 1
1 {} {0.148663892483 0.536011727003 0.677278401111} H5 12 1
1 {} {0.352788627672 0.571118970501 0.808029767957} H6 13 1
1 {} {0.345443008005 0.810806037353 0.418025002401} H7 14 1
1 {} {0.486225176105 0.683827191061 0.327099712373} H8 15 1
1 {} {0.600874937794 0.680146207953 0.541505043436} H10 16 1
8 {} {0.365893617651 0.58998707028 0.549850566448} O 17 1
1 {} {0.327569134661 0.777909142169 0.482440998276} 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