iterations/neb0_image09_iter240.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 {} {0.472453541189 0.215058816131 0.494103601124} O1 1 1
14 {} {0.333325079738 0.214974817329 0.581649075662} Si1 2 1
14 {} {0.606496310671 0.296024024899 0.44543701975} Si2 3 1
8 {} {0.570312141575 0.451289662122 0.404712851292} O2 4 1
8 {} {0.322513180396 0.349533076387 0.675800677705} O3 5 1
14 {} {0.300509032712 0.512688113535 0.672639424794} Si3 6 1
14 {} {0.511745765074 0.596938728786 0.452493264873} Si4 7 1
1 {} {0.334155263827 0.0968435123205 0.671547177133} H1 8 1
1 {} {0.218966413641 0.210986983958 0.486200556162} H2 9 1
1 {} {0.659038594365 0.228521367177 0.324338442269} H3 10 1
1 {} {0.705795930454 0.296392649108 0.556490476807} H4 11 1
1 {} {0.155699606422 0.54348348282 0.659418081461} H5 12 1
1 {} {0.358285543237 0.567203122697 0.798337756783} H6 13 1
1 {} {0.315749517954 0.914944845023 0.432838964439} H7 14 1
1 {} {0.474718904367 0.673192601142 0.33071724435} H8 15 1
1 {} {0.614906699306 0.666717961881 0.534171261018} H10 16 1
8 {} {0.375471881633 0.57944019666 0.542925841675} O 17 1
1 {} {0.279942719856 0.858283983908 0.467235912744} 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