iterations/neb0_image09_iter58.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.47219337724 0.211846231668 0.494320533073} O1 1 1
14 {} {0.336256524062 0.216109852725 0.586335328641} Si1 2 1
14 {} {0.603108301121 0.298998242119 0.444966949529} Si2 3 1
8 {} {0.560180562214 0.451469644995 0.402187461698} O2 4 1
8 {} {0.329394825353 0.355462704887 0.674658850427} O3 5 1
14 {} {0.296390630641 0.51631249073 0.669373762269} Si3 6 1
14 {} {0.506431854166 0.599057536042 0.451193442086} Si4 7 1
1 {} {0.340594614425 0.102788405274 0.682310278094} H1 8 1
1 {} {0.217766812899 0.208839296235 0.496012593679} H2 9 1
1 {} {0.658543800093 0.23172142701 0.324957771092} H3 10 1
1 {} {0.702209597921 0.307476899453 0.5561198568} H4 11 1
1 {} {0.149855081623 0.538295068755 0.655764487631} H5 12 1
1 {} {0.350892308463 0.576862114795 0.793867796704} H6 13 1
1 {} {0.323466609847 0.877598642213 0.413652347002} H7 14 1
1 {} {0.477078040651 0.677429137978 0.328976441844} H8 15 1
1 {} {0.610270971672 0.663954532334 0.53620338979} H10 16 1
8 {} {0.367923647086 0.585753834418 0.538618878786} O 17 1
1 {} {0.307528606152 0.852541885993 0.481537821179} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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