./iterations/neb0_image03_iter211.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image03

@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 {} {0.457233230717 0.266990339895 0.49044525537} O1 1 1
14 {} {0.324073715466 0.238207519001 0.582939397999} Si1 2 1
14 {} {0.582092726423 0.3515294064 0.429916800015} Si2 3 1
8 {} {0.532431339637 0.495148598642 0.36897918635} O2 4 1
8 {} {0.305049960253 0.349363028979 0.700547736627} O3 5 1
14 {} {0.256392937059 0.503581884376 0.73865639408} Si3 6 1
14 {} {0.565014202492 0.656321474627 0.361581733724} Si4 7 1
1 {} {0.340527955508 0.105107018436 0.649577974595} H1 8 1
1 {} {0.206114681521 0.239823263489 0.490005843293} H2 9 1
1 {} {0.640933281904 0.271248518035 0.320994305604} H3 10 1
1 {} {0.682369489974 0.376611966436 0.536508800029} H4 11 1
1 {} {0.107712072459 0.51064100246 0.736767592815} H5 12 1
1 {} {0.316810792685 0.536509614763 0.869192393793} H6 13 1
1 {} {0.43713757723 0.724448755542 0.324952391694} H7 14 1
1 {} {0.666129528012 0.682837176201 0.255502598172} H8 15 1
1 {} {0.614688127852 0.709342516591 0.49081154528} H10 16 1
8 {} {0.317509582973 0.617542020384 0.629685741831} O 17 1
1 {} {0.257864998368 0.63726395622 0.553992003294} 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