./iterations/neb0_image02_iter119.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467904254145 0.240060115055 0.480683145156} O1 1 1
14 {} {0.329765009566 0.242464781639 0.569356323847} Si1 2 1
14 {} {0.59327592539 0.334175501753 0.431698233955} Si2 3 1
8 {} {0.537996582778 0.477285973977 0.374051496221} O2 4 1
8 {} {0.328110227275 0.372583203612 0.669437259556} O3 5 1
14 {} {0.262432037358 0.515402385127 0.717376875578} Si3 6 1
14 {} {0.535281300959 0.64193397996 0.374783064673} Si4 7 1
1 {} {0.327087362105 0.119002213741 0.652595098195} H1 8 1
1 {} {0.212588035404 0.247562280814 0.4775068229} H2 9 1
1 {} {0.660460385137 0.261129631467 0.321485761843} H3 10 1
1 {} {0.68420335713 0.35884185975 0.547275633135} H4 11 1
1 {} {0.117179889034 0.495679181286 0.738249054981} H5 12 1
1 {} {0.333820189342 0.556561599807 0.841449290937} H6 13 1
1 {} {0.397093536715 0.690804869302 0.347305328092} H7 14 1
1 {} {0.627825712623 0.693070424929 0.269459278073} H8 15 1
1 {} {0.579984907315 0.693368651176 0.508290078635} H10 16 1
8 {} {0.275530023866 0.63074568399 0.599734458123} O 17 1
1 {} {0.339547376226 0.701845646567 0.610320818689} 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