./iterations/neb0_image05_iter169.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.474775719242 0.236542169999 0.488100924276} O1 1 1
14 {} {0.330604456621 0.225817987866 0.564212786886} Si1 2 1
14 {} {0.596160047845 0.342011024539 0.46242056142} Si2 3 1
8 {} {0.539669584857 0.494845562131 0.484112742919} O2 4 1
8 {} {0.297168244141 0.361256611612 0.649738380336} O3 5 1
14 {} {0.255774949512 0.519294500123 0.663440715896} Si3 6 1
14 {} {0.552838430325 0.652210482042 0.437273407855} Si4 7 1
1 {} {0.33809008025 0.116237511106 0.662511216387} H1 8 1
1 {} {0.22556415039 0.203011171586 0.462213957567} H2 9 1
1 {} {0.646527215138 0.325956603815 0.324469123266} H3 10 1
1 {} {0.700906196534 0.314170045657 0.561786192557} H4 11 1
1 {} {0.13485075479 0.527282169138 0.748585736003} H5 12 1
1 {} {0.367506270743 0.591183387423 0.730725902919} H6 13 1
1 {} {0.454861400265 0.728475407227 0.518466809308} H7 14 1
1 {} {0.516908999795 0.665619007998 0.292571855692} H8 15 1
1 {} {0.690709414671 0.7061563207 0.464401592112} H10 16 1
8 {} {0.22171606833 0.587952610593 0.515838158831} O 17 1
1 {} {0.265454032051 0.674495355909 0.50018805975} 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