iterations/neb0_image02_iter106.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 {} {0.467552384463 0.238339523675 0.479363043658} O1 1 1
14 {} {0.329355243191 0.242640243675 0.567968078074} Si1 2 1
14 {} {0.593437269191 0.332893511909 0.432215248221} Si2 3 1
8 {} {0.539498467964 0.476407391458 0.374132528509} O2 4 1
8 {} {0.330265989545 0.373699558507 0.666869865999} O3 5 1
14 {} {0.263660667176 0.515866378404 0.716324640215} Si3 6 1
14 {} {0.532994526164 0.640918145057 0.376363599389} Si4 7 1
1 {} {0.325992671908 0.119939138505 0.651739645691} H1 8 1
1 {} {0.21333574859 0.247994971201 0.474801412092} H2 9 1
1 {} {0.662436612247 0.261117813709 0.322099000667} H3 10 1
1 {} {0.684478323618 0.356159594425 0.548408367965} H4 11 1
1 {} {0.118015653502 0.495997289627 0.737803228321} H5 12 1
1 {} {0.336073673573 0.558122465803 0.839431523185} H6 13 1
1 {} {0.394170488948 0.687510817366 0.351451941072} H7 14 1
1 {} {0.623003894765 0.695056911507 0.270485357346} H8 15 1
1 {} {0.578691899335 0.691844922704 0.509738520721} H10 16 1
8 {} {0.277675616264 0.633242343293 0.599445143633} O 17 1
1 {} {0.339446978106 0.704766966908 0.612416867063} 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