./iterations/neb0_image06_iter110.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@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 {} {0.47028338536 0.226054234998 0.491106757747} O1 1 1
14 {} {0.330233417454 0.222931860849 0.576738796071} Si1 2 1
14 {} {0.597331158481 0.320572115056 0.448207140284} Si2 3 1
8 {} {0.553895306705 0.471736863146 0.412029107063} O2 4 1
8 {} {0.323716759304 0.353248529596 0.677235422227} O3 5 1
14 {} {0.294762874793 0.514671484369 0.671559319694} Si3 6 1
14 {} {0.496025106827 0.620726847281 0.445772502609} Si4 7 1
1 {} {0.327633385648 0.0993491308613 0.658036853052} H1 8 1
1 {} {0.214879396634 0.228346287348 0.483628229311} H2 9 1
1 {} {0.653064954391 0.265540707868 0.322917720519} H3 10 1
1 {} {0.695813181989 0.323857685142 0.560395427199} H4 11 1
1 {} {0.14768303918 0.539215933736 0.669603844196} H5 12 1
1 {} {0.359465523365 0.575715875433 0.791157839947} H6 13 1
1 {} {0.373363652927 0.800926777012 0.453658855591} H7 14 1
1 {} {0.494965038488 0.679738634092 0.307798960814} H8 15 1
1 {} {0.591048835758 0.69775430806 0.53071997956} H10 16 1
8 {} {0.356884322767 0.580740413106 0.533980826863} O 17 1
1 {} {0.329036756957 0.75139026647 0.496510418489} 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