iterations/neb0_image06_iter70.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.468933800232 0.220883116853 0.485159316568} O1 1 1
14 {} {0.330570653304 0.226553725181 0.576130976985} Si1 2 1
14 {} {0.593671590931 0.318937929797 0.443425183592} Si2 3 1
8 {} {0.540439390391 0.468455900295 0.40722017244} O2 4 1
8 {} {0.328417751598 0.357013588014 0.676395468481} O3 5 1
14 {} {0.29522453909 0.517420013363 0.68177207013} Si3 6 1
14 {} {0.49870718792 0.619297573902 0.4513688663} Si4 7 1
1 {} {0.328455645721 0.107106805586 0.663345274256} H1 8 1
1 {} {0.215306282158 0.231790883185 0.481932114119} H2 9 1
1 {} {0.656815902243 0.266770856749 0.319067373702} H3 10 1
1 {} {0.68991229984 0.33490459085 0.557054663898} H4 11 1
1 {} {0.148354789973 0.539078413425 0.676023729359} H5 12 1
1 {} {0.349206941561 0.570227004918 0.809415262972} H6 13 1
1 {} {0.369343650357 0.784638106098 0.425329641113} H7 14 1
1 {} {0.504172940466 0.682164421591 0.313460667543} H8 15 1
1 {} {0.598979728389 0.691844902407 0.533994058922} H10 16 1
8 {} {0.365361601377 0.590277466738 0.551821813283} O 17 1
1 {} {0.328211413347 0.745152652007 0.478141330957} 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