./iterations/neb0_image05_iter213.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.473913195726 0.247234359556 0.490762648533} O1 1 1
14 {} {0.327362459181 0.228177547469 0.560856958331} Si1 2 1
14 {} {0.603946959579 0.34472923075 0.468821817188} Si2 3 1
8 {} {0.564047645491 0.501144905168 0.502897810621} O2 4 1
8 {} {0.277075878319 0.364332659453 0.636593443519} O3 5 1
14 {} {0.241605869098 0.522675551927 0.66212971166} Si3 6 1
14 {} {0.567368224613 0.655891761896 0.4452715117} Si4 7 1
1 {} {0.337961822862 0.119301958971 0.660528990601} H1 8 1
1 {} {0.227244421551 0.187850803725 0.457880954182} H2 9 1
1 {} {0.645504234946 0.336772887864 0.326543104951} H3 10 1
1 {} {0.711164693165 0.302319258362 0.5617408923} H4 11 1
1 {} {0.134801362549 0.523134019536 0.76775179711} H5 12 1
1 {} {0.366132333077 0.595583128947 0.697378102902} H6 13 1
1 {} {0.486402298338 0.736501581166 0.543416426109} H7 14 1
1 {} {0.503386958373 0.660869586075 0.309899617695} H8 15 1
1 {} {0.706596896028 0.706333441799 0.435657643426} H10 16 1
8 {} {0.181797722561 0.599895680169 0.527367339614} O 17 1
1 {} {0.253773028184 0.639769646816 0.475559409307} 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