./iterations/neb0_image07_iter80.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image07

@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 {} {0.470316720583 0.22098541053 0.488164180289} O1 1 1
14 {} {0.33161217085 0.224013018508 0.576528531071} Si1 2 1
14 {} {0.599210863226 0.31280238338 0.444213889308} Si2 3 1
8 {} {0.552402275488 0.464087620274 0.403279806042} O2 4 1
8 {} {0.328469878557 0.353602802651 0.677915416402} O3 5 1
14 {} {0.299177410308 0.515894288855 0.678190096286} Si3 6 1
14 {} {0.503827262703 0.610819786893 0.454412062233} Si4 7 1
1 {} {0.326565994925 0.101954851085 0.659776558257} H1 8 1
1 {} {0.217293461158 0.232212323837 0.482112060599} H2 9 1
1 {} {0.66128922747 0.256393887348 0.321782746483} H3 10 1
1 {} {0.692619783877 0.323078231457 0.560109079295} H4 11 1
1 {} {0.15221210963 0.540027591243 0.669570777715} H5 12 1
1 {} {0.354967475749 0.569806693259 0.805721346286} H6 13 1
1 {} {0.351782759816 0.818188028347 0.423977796813} H7 14 1
1 {} {0.481697445824 0.683391728382 0.327190526134} H8 15 1
1 {} {0.605039310695 0.681229415441 0.537630337999} H10 16 1
8 {} {0.369426390986 0.587554431162 0.547800203483} O 17 1
1 {} {0.312175583847 0.776475471142 0.472682533552} 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
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
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 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 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