./iterations/neb0_image08_iter252.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472737160039 0.222597343096 0.493807090528} O1 1 1
14 {} {0.331829109916 0.217668080251 0.576934065308} Si1 2 1
14 {} {0.613680059383 0.295099244158 0.452785492785} Si2 3 1
8 {} {0.590540648761 0.4547523259 0.423540553869} O2 4 1
8 {} {0.315078189153 0.350549432721 0.672605523268} O3 5 1
14 {} {0.299744353505 0.514262105324 0.665643512982} Si3 6 1
14 {} {0.510240901638 0.596019925108 0.446475273003} Si4 7 1
1 {} {0.333120013905 0.0986687684055 0.665433539123} H1 8 1
1 {} {0.22054809945 0.211442270584 0.478263024479} H2 9 1
1 {} {0.663155286744 0.231539796141 0.328276857464} H3 10 1
1 {} {0.710762272848 0.280710481566 0.564524710884} H4 11 1
1 {} {0.156756428613 0.552843433434 0.658092396571} H5 12 1
1 {} {0.367120946821 0.569563785888 0.786147851505} H6 13 1
1 {} {0.312098567244 0.91432909008 0.474792456979} H7 14 1
1 {} {0.472113198489 0.652497987862 0.314029481542} H8 15 1
1 {} {0.59732756474 0.687925914626 0.525622876855} H10 16 1
8 {} {0.369588277483 0.5719542785 0.52861587524} O 17 1
1 {} {0.27364515061 0.850093622254 0.475467137994} 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