./iterations/neb0_image08_iter239.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472626055684 0.224417665899 0.493908611486} O1 1 1
14 {} {0.331619321794 0.218264906485 0.576773993959} Si1 2 1
14 {} {0.614204125749 0.295904989348 0.452539210513} Si2 3 1
8 {} {0.592870088661 0.455333493584 0.421828070505} O2 4 1
8 {} {0.313625280951 0.350065335336 0.674347622532} O3 5 1
14 {} {0.300190191672 0.513722862771 0.666993480232} Si3 6 1
14 {} {0.51111711268 0.59566817816 0.446945375599} Si4 7 1
1 {} {0.332404122291 0.0976654160935 0.663227554378} H1 8 1
1 {} {0.220325023138 0.212825045695 0.477853032295} H2 9 1
1 {} {0.663132441214 0.230652198742 0.328819886327} H3 10 1
1 {} {0.710665818174 0.280503529285 0.56456392499} H4 11 1
1 {} {0.157659163446 0.553487185621 0.658084292427} H5 12 1
1 {} {0.367006936236 0.568638202329 0.787677037779} H6 13 1
1 {} {0.309842392568 0.91377032754 0.476764331343} H7 14 1
1 {} {0.471604663918 0.652139462474 0.31518811142} H8 15 1
1 {} {0.597788438317 0.687385319317 0.525845594306} H10 16 1
8 {} {0.37206226957 0.570958180719 0.530428547918} O 17 1
1 {} {0.271342803686 0.851115577149 0.469269027601} 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