./iterations/neb0_image06_iter223.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 {} {0.475106057289 0.228347936033 0.487148478033} O1 1 1
14 {} {0.330776447044 0.216777802841 0.564946572414} Si1 2 1
14 {} {0.608129201366 0.319785036592 0.460101380697} Si2 3 1
8 {} {0.575031110645 0.478062179486 0.4769474283} O2 4 1
8 {} {0.295795345688 0.352254722103 0.65168247225} O3 5 1
14 {} {0.284629741907 0.516177896166 0.651899782692} Si3 6 1
14 {} {0.488720136337 0.613138205336 0.447724911598} Si4 7 1
1 {} {0.334744656752 0.105730030265 0.662991479376} H1 8 1
1 {} {0.225313879387 0.195077629329 0.46252600936} H2 9 1
1 {} {0.652252115651 0.2978893673 0.320216172073} H3 10 1
1 {} {0.712788538737 0.292512489225 0.561313120835} H4 11 1
1 {} {0.14559070826 0.546098177976 0.697134655545} H5 12 1
1 {} {0.382620569778 0.576246856844 0.7449035917} H6 13 1
1 {} {0.388830075008 0.81109167813 0.526831012518} H7 14 1
1 {} {0.46964135403 0.650820159817 0.306034582681} H8 15 1
1 {} {0.588628440614 0.714598291264 0.499640455262} H10 16 1
8 {} {0.329772612248 0.576754520728 0.503735563297} O 17 1
1 {} {0.321714948434 0.781154937503 0.505280456113} 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