./iterations/neb0_image07_iter64.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 {} {0.470593940268 0.218842590067 0.484004717795} O1 1 1
14 {} {0.332417063602 0.224982109695 0.573595353829} Si1 2 1
14 {} {0.599202504578 0.313166205711 0.443102675681} Si2 3 1
8 {} {0.550107317928 0.463636454105 0.403278413108} O2 4 1
8 {} {0.33166408211 0.355368683452 0.674519895882} O3 5 1
14 {} {0.298222017094 0.51611980629 0.680131650627} Si3 6 1
14 {} {0.501119812379 0.610297181657 0.455682377705} Si4 7 1
1 {} {0.327172160109 0.10360625058 0.659384813108} H1 8 1
1 {} {0.215854677796 0.233721373645 0.48000157258} H2 9 1
1 {} {0.662548006712 0.254262444479 0.323062611271} H3 10 1
1 {} {0.692423915671 0.327497499994 0.558173622412} H4 11 1
1 {} {0.151726906556 0.538044441541 0.672672205241} H5 12 1
1 {} {0.35454026481 0.571280696274 0.805656025548} H6 13 1
1 {} {0.348100051817 0.813929858677 0.419815474999} H7 14 1
1 {} {0.482350270335 0.68432625291 0.329034874998} H8 15 1
1 {} {0.602152955836 0.679535797779 0.540284958271} H10 16 1
8 {} {0.367779913796 0.587965937088 0.550589185689} O 17 1
1 {} {0.322110283097 0.775934380724 0.47806753309} 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