./iterations/neb0_image01_iter155.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 {} {0.465045043637 0.251738407377 0.476723597256} O1 1 1
14 {} {0.327466352418 0.251060925901 0.565673055008} Si1 2 1
14 {} {0.597615717822 0.335582728709 0.427318195577} Si2 3 1
8 {} {0.55589826317 0.476091791452 0.354912872976} O2 4 1
8 {} {0.325592193516 0.377530438587 0.669438997052} O3 5 1
14 {} {0.257027834513 0.514313109686 0.731181639291} Si3 6 1
14 {} {0.537434454981 0.639479095167 0.364616346566} Si4 7 1
1 {} {0.325302836371 0.124763181347 0.643808296439} H1 8 1
1 {} {0.211315400044 0.25996649502 0.473202624418} H2 9 1
1 {} {0.667565138928 0.252307694669 0.32675159249} H3 10 1
1 {} {0.683725562001 0.366029811711 0.544894321564} H4 11 1
1 {} {0.111505488712 0.493006446034 0.750380920782} H5 12 1
1 {} {0.32926118464 0.54020256361 0.858696979516} H6 13 1
1 {} {0.398020143465 0.673604118646 0.324743885233} H7 14 1
1 {} {0.635960338513 0.707000011666 0.275961711538} H8 15 1
1 {} {0.559228310584 0.686832479056 0.505282096652} H10 16 1
8 {} {0.267220221749 0.642934231396 0.628455914268} O 17 1
1 {} {0.354901491068 0.680074344784 0.609014881805} 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