iterations/neb0_image09_iter175.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 {} {0.472138288409 0.216759114123 0.493929795342} O1 1 1
14 {} {0.333627297542 0.215663431701 0.582623301559} Si1 2 1
14 {} {0.605573482663 0.298417109287 0.444535565844} Si2 3 1
8 {} {0.567776919982 0.452445431342 0.400700257198} O2 4 1
8 {} {0.323232902897 0.349155423875 0.678183951216} O3 5 1
14 {} {0.299034745589 0.512039355955 0.673062868622} Si3 6 1
14 {} {0.510289382555 0.59766864831 0.451776453222} Si4 7 1
1 {} {0.335817117159 0.0969503839756 0.671617358665} H1 8 1
1 {} {0.218303474226 0.212914898483 0.488257983179} H2 9 1
1 {} {0.659478029295 0.229149076401 0.324999123256} H3 10 1
1 {} {0.704527323623 0.302220694773 0.556143586889} H4 11 1
1 {} {0.153913779482 0.540612141206 0.658979647958} H5 12 1
1 {} {0.355317310799 0.568295647747 0.798547321541} H6 13 1
1 {} {0.319258633395 0.90395472662 0.424978411469} H7 14 1
1 {} {0.474078676452 0.676719032338 0.331829844644} H8 15 1
1 {} {0.614666948366 0.6653082304 0.533714946115} H10 16 1
8 {} {0.374310841861 0.578481271873 0.542699334203} O 17 1
1 {} {0.28874095452 0.855763301802 0.474477967428} 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