iterations/neb0_image07_iter234.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.475561621527 0.224236328613 0.497947190802} O1 1 1
14 {} {0.335710992172 0.214223611871 0.583003869087} Si1 2 1
14 {} {0.615741804406 0.297845252664 0.454211762966} Si2 3 1
8 {} {0.593081985014 0.457615839294 0.427020328852} O2 4 1
8 {} {0.311168124224 0.349670589802 0.672937065629} O3 5 1
14 {} {0.291483747684 0.510946520732 0.647651544717} Si3 6 1
14 {} {0.496788419862 0.590200501567 0.432027539818} Si4 7 1
1 {} {0.342128837811 0.100196833812 0.676501588992} H1 8 1
1 {} {0.223850142167 0.19819912866 0.486209587241} H2 9 1
1 {} {0.658924711923 0.233040845217 0.328452457008} H3 10 1
1 {} {0.717017814325 0.285736143161 0.562223170917} H4 11 1
1 {} {0.147190975673 0.548334762768 0.646994388189} H5 12 1
1 {} {0.36564889782 0.579102728151 0.757421902915} H6 13 1
1 {} {0.340265501219 0.926399366567 0.503554102683} H7 14 1
1 {} {0.470430505865 0.634935040658 0.292878967039} H8 15 1
1 {} {0.561803263676 0.694535098735 0.515227831752} H10 16 1
8 {} {0.352038221061 0.554918958304 0.499967794522} O 17 1
1 {} {0.31125031006 0.872380277646 0.546826656061} 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