./iterations/neb0_image01_iter195.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@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 {} {0.464384095396 0.255126516232 0.47726586284} O1 1 1
14 {} {0.327352160617 0.25120731746 0.567250911094} Si1 2 1
14 {} {0.597554313891 0.336386519853 0.426844911634} Si2 3 1
8 {} {0.556534454507 0.476869602032 0.352230077844} O2 4 1
8 {} {0.324467124929 0.375644079975 0.673895007281} O3 5 1
14 {} {0.255785167201 0.513247570754 0.732904159809} Si3 6 1
14 {} {0.538104093777 0.639970498407 0.361975604089} Si4 7 1
1 {} {0.327418431077 0.124120623161 0.644016587992} H1 8 1
1 {} {0.210577674389 0.259441621628 0.475373790476} H2 9 1
1 {} {0.666384135878 0.250317381328 0.327695615422} H3 10 1
1 {} {0.683999155546 0.367306292926 0.544187547663} H4 11 1
1 {} {0.109678873356 0.494153124258 0.750844330512} H5 12 1
1 {} {0.325665158412 0.541115510069 0.861355944749} H6 13 1
1 {} {0.401357908191 0.677966449086 0.317049539989} H7 14 1
1 {} {0.639908561617 0.707272628316 0.276548500749} H8 15 1
1 {} {0.556231983335 0.685148024124 0.50407360107} H10 16 1
8 {} {0.268448856648 0.639675599971 0.627588442006} O 17 1
1 {} {0.356233774942 0.677548479394 0.609957460009} 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
16 5 0 0
4 1 0 0
3 2 0 0
17 16 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 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 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