iterations/neb0_image06_iter112.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 {} {0.470050486237 0.226312085987 0.490977371292} O1 1 1
14 {} {0.330360485701 0.223279546291 0.576388562158} Si1 2 1
14 {} {0.597971893638 0.3200683842 0.448269489457} Si2 3 1
8 {} {0.553960015991 0.47232048193 0.412871583972} O2 4 1
8 {} {0.323609336201 0.353226837326 0.676959292581} O3 5 1
14 {} {0.294479562064 0.51504490134 0.671183129361} Si3 6 1
14 {} {0.496163505935 0.620373387261 0.445821400592} Si4 7 1
1 {} {0.327794189087 0.0995624762102 0.658002568834} H1 8 1
1 {} {0.214695268828 0.228082250241 0.483110444174} H2 9 1
1 {} {0.653228145425 0.265347129333 0.323027004681} H3 10 1
1 {} {0.696033455099 0.323764288823 0.560327613298} H4 11 1
1 {} {0.147523770082 0.538910129734 0.670374831084} H5 12 1
1 {} {0.359621248712 0.575951888898 0.790445993242} H6 13 1
1 {} {0.374222525744 0.800765805674 0.45498208822} H7 14 1
1 {} {0.493878756066 0.67993242946 0.307695567599} H8 15 1
1 {} {0.591160230724 0.697970988768 0.530841720992} H10 16 1
8 {} {0.35628280309 0.580082272801 0.532942073225} O 17 1
1 {} {0.329050417957 0.751522666181 0.496837263937} 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