./iterations/neb0_image03_iter66.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 {} {0.468328115884 0.232042283922 0.480493189977} O1 1 1
14 {} {0.330540200509 0.237594627698 0.569637756579} Si1 2 1
14 {} {0.590668334362 0.331807304246 0.434036707119} Si2 3 1
8 {} {0.530406536423 0.476014910202 0.387210940653} O2 4 1
8 {} {0.32866709378 0.370353084062 0.666610179658} O3 5 1
14 {} {0.272469630326 0.518539973916 0.708141216836} Si3 6 1
14 {} {0.528013761369 0.640981189703 0.389184164416} Si4 7 1
1 {} {0.328081071308 0.119407149132 0.65979376566} H1 8 1
1 {} {0.212977586389 0.240084019603 0.477913748131} H2 9 1
1 {} {0.657927700443 0.267908755553 0.31843643873} H3 10 1
1 {} {0.682844847885 0.352545962685 0.548897513301} H4 11 1
1 {} {0.123719096326 0.51452043813 0.720732791157} H5 12 1
1 {} {0.338031089142 0.560858756274 0.835426509261} H6 13 1
1 {} {0.390869279421 0.694837326288 0.371305375071} H7 14 1
1 {} {0.608904523148 0.689484908949 0.273884476891} H8 15 1
1 {} {0.593036829231 0.692296319541 0.514315498436} H10 16 1
8 {} {0.31567534331 0.617666557066 0.584543382874} O 17 1
1 {} {0.308925073725 0.71557438746 0.590494347542} 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