./iterations/neb0_image09_iter193.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.47218780317 0.216336094415 0.493877713533} O1 1 1
14 {} {0.33339151769 0.21542830973 0.582184510158} Si1 2 1
14 {} {0.60565150188 0.297738641733 0.444554087578} Si2 3 1
8 {} {0.568360671102 0.452177643061 0.401796102245} O2 4 1
8 {} {0.323181349174 0.349282324843 0.677192737806} O3 5 1
14 {} {0.299281384358 0.512110000853 0.673060272848} Si3 6 1
14 {} {0.510790074791 0.597287655951 0.452419361281} Si4 7 1
1 {} {0.335476311845 0.097044176967 0.671641845009} H1 8 1
1 {} {0.218213434644 0.212587677035 0.487617645358} H2 9 1
1 {} {0.659425251473 0.229157651579 0.324573984901} H3 10 1
1 {} {0.704564215079 0.301939358618 0.555867523822} H4 11 1
1 {} {0.154133222126 0.541159926179 0.659450629276} H5 12 1
1 {} {0.355909329805 0.56838774961 0.798428484715} H6 13 1
1 {} {0.318652851723 0.906517487565 0.426693351362} H7 14 1
1 {} {0.474332710701 0.675183384918 0.331563015237} H8 15 1
1 {} {0.614877812561 0.666113462009 0.534198961886} H10 16 1
8 {} {0.375026375734 0.578009746867 0.542970864874} O 17 1
1 {} {0.286630286026 0.856056643108 0.472966602069} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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