./iterations/neb0_image02_iter89.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 {} {0.468008597458 0.237339798386 0.478000419476} O1 1 1
14 {} {0.329536529215 0.243263470803 0.566119233662} Si1 2 1
14 {} {0.594296911469 0.331953014103 0.431609588784} Si2 3 1
8 {} {0.540271204407 0.475602219352 0.374804750069} O2 4 1
8 {} {0.330799189247 0.374931769265 0.664512409239} O3 5 1
14 {} {0.265141959847 0.516969813006 0.714812599494} Si3 6 1
14 {} {0.531517901454 0.64001590961 0.378431359661} Si4 7 1
1 {} {0.324551576787 0.12098556436 0.650977195455} H1 8 1
1 {} {0.213491660189 0.249391105634 0.472610867884} H2 9 1
1 {} {0.664939537744 0.260783644067 0.322157266555} H3 10 1
1 {} {0.683147440339 0.354242841848 0.549064905803} H4 11 1
1 {} {0.119778186315 0.49592802271 0.73728088757} H5 12 1
1 {} {0.338228406518 0.558769475518 0.837562834371} H6 13 1
1 {} {0.390739505046 0.681885336046 0.355497131504} H7 14 1
1 {} {0.618650850631 0.697005208473 0.271749316552} H8 15 1
1 {} {0.577619824167 0.691045897961 0.511636145547} H10 16 1
8 {} {0.279251420791 0.633486593613 0.599513646864} O 17 1
1 {} {0.34011540682 0.708918291371 0.614717437488} 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