./iterations/neb0_image02_iter84.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 {} {0.468191583121 0.237170207645 0.477637613757} O1 1 1
14 {} {0.329591116461 0.243409193543 0.56575882106} Si1 2 1
14 {} {0.59446017899 0.331790931446 0.431433874462} Si2 3 1
8 {} {0.540502606616 0.475571729542 0.374830634689} O2 4 1
8 {} {0.330490904533 0.375001533668 0.663944735564} O3 5 1
14 {} {0.265471832967 0.517123097075 0.714897925505} Si3 6 1
14 {} {0.530885296695 0.639965484641 0.378774982344} Si4 7 1
1 {} {0.324192251144 0.121373402701 0.650692767581} H1 8 1
1 {} {0.213590933555 0.249836756618 0.472479975335} H2 9 1
1 {} {0.665490172065 0.260474998618 0.321965631206} H3 10 1
1 {} {0.682956253041 0.354076025849 0.549404927398} H4 11 1
1 {} {0.120466837143 0.495800675229 0.737149934081} H5 12 1
1 {} {0.338572264455 0.558576438822 0.837568648903} H6 13 1
1 {} {0.390274389438 0.680685173508 0.356080886798} H7 14 1
1 {} {0.617979083176 0.697319880077 0.272034744192} H8 15 1
1 {} {0.577432745706 0.690958021622 0.511977068517} H10 16 1
8 {} {0.280065166979 0.63498835738 0.599249488309} O 17 1
1 {} {0.339472493612 0.708396070297 0.615175331484} 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