./iterations/neb0_image08_iter95.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 {} {0.4715391201 0.218911193769 0.489714682956} O1 1 1
14 {} {0.3327464709 0.220975930153 0.577922109} Si1 2 1
14 {} {0.603003383215 0.307067185971 0.444690445469} Si2 3 1
8 {} {0.560900517203 0.459713408186 0.400198916051} O2 4 1
8 {} {0.328721827776 0.35173447358 0.678372766262} O3 5 1
14 {} {0.298662528792 0.513745257842 0.675887544424} Si3 6 1
14 {} {0.5047745306 0.604585641784 0.453536444737} Si4 7 1
1 {} {0.329650141376 0.0993307291066 0.663007320207} H1 8 1
1 {} {0.217540902429 0.226817144422 0.483193660508} H2 9 1
1 {} {0.663383313651 0.244062881572 0.324989276703} H3 10 1
1 {} {0.697552518037 0.313917567544 0.559809524492} H4 11 1
1 {} {0.152272526397 0.538183532618 0.665866225772} H5 12 1
1 {} {0.356398543917 0.570470582715 0.800521031481} H6 13 1
1 {} {0.332774411571 0.847406818328 0.418278277109} H7 14 1
1 {} {0.473431381751 0.683582173408 0.331862370654} H8 15 1
1 {} {0.608859451205 0.671374410488 0.537281052313} H10 16 1
8 {} {0.368858355045 0.584366305594 0.544283334378} O 17 1
1 {} {0.309016211827 0.816272745713 0.481642969529} 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