./iterations/neb0_image01_iter194.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.464389042658 0.255053090135 0.47724415049} O1 1 1
14 {} {0.327358319484 0.251228402723 0.567168877403} Si1 2 1
14 {} {0.597627302334 0.33637598542 0.426854376207} Si2 3 1
8 {} {0.556557136145 0.47683867402 0.352299115051} O2 4 1
8 {} {0.324543967199 0.375730479023 0.673751392077} O3 5 1
14 {} {0.255841714843 0.513229883021 0.732924929678} Si3 6 1
14 {} {0.538034442072 0.639977203928 0.3620238521} Si4 7 1
1 {} {0.327343831158 0.124153579131 0.644013243839} H1 8 1
1 {} {0.210581064564 0.259443304825 0.47526265852} H2 9 1
1 {} {0.666429771893 0.250286214237 0.327695340267} H3 10 1
1 {} {0.684024445524 0.367230371063 0.5442493459} H4 11 1
1 {} {0.109727956371 0.494169138231 0.750853409128} H5 12 1
1 {} {0.325749053306 0.54104838059 0.861361560177} H6 13 1
1 {} {0.401252626335 0.677953639746 0.317217912785} H7 14 1
1 {} {0.639761382285 0.70728059859 0.276490073143} H8 15 1
1 {} {0.556291468775 0.68513719888 0.504114330668} H10 16 1
8 {} {0.268425455228 0.639771310866 0.627632888694} O 17 1
1 {} {0.356146945005 0.677610385929 0.609900439121} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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