./iterations/neb0_image01_iter120.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 {} {0.4672938115 0.244632982278 0.473879434236} O1 1 1
14 {} {0.328154196476 0.249838028206 0.561000018139} Si1 2 1
14 {} {0.598646978377 0.332606761879 0.429761116416} Si2 3 1
8 {} {0.553551945387 0.47587010713 0.36370581293} O2 4 1
8 {} {0.330228222055 0.3795029652 0.661610315172} O3 5 1
14 {} {0.26215339601 0.514812361192 0.725733804014} Si3 6 1
14 {} {0.532251020889 0.638694411078 0.370842294554} Si4 7 1
1 {} {0.320768817042 0.126024621449 0.642937798022} H1 8 1
1 {} {0.213061682344 0.259535648423 0.467031217913} H2 9 1
1 {} {0.670207430351 0.254094377698 0.326214922669} H3 10 1
1 {} {0.683512022766 0.358213785808 0.549617245486} H4 11 1
1 {} {0.117525813465 0.491392683604 0.748077500788} H5 12 1
1 {} {0.336437634978 0.543086978421 0.851683018766} H6 13 1
1 {} {0.390892061513 0.673139359731 0.338453141422} H7 14 1
1 {} {0.623500689135 0.704791492988 0.273486096094} H8 15 1
1 {} {0.563464065858 0.68877305837 0.508749056947} H10 16 1
8 {} {0.267778535875 0.643850519498 0.623009317158} O 17 1
1 {} {0.350657786493 0.693657822217 0.615265875755} 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