./iterations/neb0_image02_iter122.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467904776468 0.23984000714 0.480461152291} O1 1 1
14 {} {0.329699894624 0.242516963673 0.5690419774} Si1 2 1
14 {} {0.593364440518 0.333935486898 0.43162284111} Si2 3 1
8 {} {0.53826354033 0.477084305356 0.374143419771} O2 4 1
8 {} {0.328340776289 0.372730485241 0.668979935816} O3 5 1
14 {} {0.262658041156 0.51546677618 0.717050304855} Si3 6 1
14 {} {0.534933783416 0.641720002049 0.37519960482} Si4 7 1
1 {} {0.326852836445 0.119272238892 0.652429384174} H1 8 1
1 {} {0.212642258375 0.247831232981 0.477055088608} H2 9 1
1 {} {0.660970688183 0.261159169289 0.321403868214} H3 10 1
1 {} {0.683970998594 0.358545403853 0.547411627261} H4 11 1
1 {} {0.117284272342 0.495653640889 0.738205413678} H5 12 1
1 {} {0.33428187467 0.556848620374 0.840984535835} H6 13 1
1 {} {0.396424263131 0.689753398733 0.348058049187} H7 14 1
1 {} {0.62695037592 0.693389027711 0.269852652444} H8 15 1
1 {} {0.579879427164 0.693270859339 0.508579638542} H10 16 1
8 {} {0.275831435084 0.630643417871 0.59979644524} O 17 1
1 {} {0.339832429407 0.702856946487 0.610782080731} 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 2
15 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 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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