./iterations/neb0_image03_iter38.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.468935342887 0.233172483589 0.480161805259} O1 1 1
14 {} {0.331902760855 0.240402659043 0.568045998644} Si1 2 1
14 {} {0.592269954967 0.3307142034 0.434781590244} Si2 3 1
8 {} {0.531762512889 0.474638273251 0.386453360217} O2 4 1
8 {} {0.333377198453 0.374955618069 0.658877936772} O3 5 1
14 {} {0.274190492392 0.520156015752 0.706832399878} Si3 6 1
14 {} {0.526272136585 0.641283402791 0.389021059622} Si4 7 1
1 {} {0.327591623412 0.121334780979 0.656343372797} H1 8 1
1 {} {0.215104418425 0.240810237756 0.476774130905} H2 9 1
1 {} {0.661320585502 0.257564726715 0.327335082454} H3 10 1
1 {} {0.686028359658 0.342882618908 0.548179518598} H4 11 1
1 {} {0.125985581431 0.513499949881 0.719256770497} H5 12 1
1 {} {0.340118346405 0.557213979623 0.835130788718} H6 13 1
1 {} {0.389215528301 0.697747258793 0.380029290064} H7 14 1
1 {} {0.597238076537 0.695633035737 0.267657939593} H8 15 1
1 {} {0.580780221985 0.686652977294 0.522547735106} H10 16 1
8 {} {0.313782614352 0.62518674509 0.583201396561} O 17 1
1 {} {0.314210364153 0.718669001601 0.590427809755} 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