iterations/neb0_image02_iter135.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.467324105693 0.242055483535 0.482877616366} O1 1 1
14 {} {0.329206281199 0.241890199025 0.571947661398} Si1 2 1
14 {} {0.591732476812 0.335753903124 0.430917303676} Si2 3 1
8 {} {0.535685465334 0.478697456319 0.373557478447} O2 4 1
8 {} {0.32649174443 0.370233549139 0.673692829223} O3 5 1
14 {} {0.259702857279 0.51334573043 0.719000876831} Si3 6 1
14 {} {0.538576022929 0.643386562145 0.372680874116} Si4 7 1
1 {} {0.329103043162 0.117649759476 0.653652640694} H1 8 1
1 {} {0.211911877098 0.24685696542 0.48024797769} H2 9 1
1 {} {0.658733335454 0.262301142085 0.32021230433} H3 10 1
1 {} {0.683719873774 0.36245866812 0.545176846429} H4 11 1
1 {} {0.113687901529 0.494440527255 0.739530427465} H5 12 1
1 {} {0.331139211097 0.556736738801 0.84217580357} H6 13 1
1 {} {0.401822319571 0.693692731379 0.34227897135} H7 14 1
1 {} {0.63426687751 0.690529278671 0.268892463839} H8 15 1
1 {} {0.582166630837 0.695916695569 0.506057049415} H10 16 1
8 {} {0.274475687992 0.628269882854 0.600137749993} O 17 1
1 {} {0.340340392521 0.698302702738 0.60802117378} 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