./iterations/neb0_image02_iter221.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 {} {0.460648937456 0.259300735353 0.490914252661} O1 1 1
14 {} {0.327383493482 0.239524626864 0.584352552381} Si1 2 1
14 {} {0.584197321189 0.347158532435 0.42889742853} Si2 3 1
8 {} {0.529677826093 0.489268834455 0.367846626534} O2 4 1
8 {} {0.3152012916 0.358000525791 0.696944857812} O3 5 1
14 {} {0.247254758098 0.504993102263 0.729307964192} Si3 6 1
14 {} {0.557122011332 0.651583722035 0.358909473548} Si4 7 1
1 {} {0.341620697919 0.109802997446 0.655827522551} H1 8 1
1 {} {0.207880510411 0.241184892795 0.495177176105} H2 9 1
1 {} {0.643683470556 0.267794286053 0.318276774527} H3 10 1
1 {} {0.683480158874 0.376594457269 0.53637339376} H4 11 1
1 {} {0.100562993784 0.489194682186 0.74492239873} H5 12 1
1 {} {0.314023603251 0.554204927487 0.852961570642} H6 13 1
1 {} {0.431676638166 0.717419859294 0.31396147222} H7 14 1
1 {} {0.667322511773 0.680972173424 0.26278442952} H8 15 1
1 {} {0.594221673286 0.705210598029 0.493780140263} H10 16 1
8 {} {0.263834558953 0.610717967606 0.603381793892} O 17 1
1 {} {0.340293739361 0.669591101741 0.596438219305} 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