./iterations/neb0_image08_iter282.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.474036977325 0.213326023826 0.493615668895} O1 1 1
14 {} {0.333773032553 0.214870914001 0.579096468634} Si1 2 1
14 {} {0.611892138938 0.293310650015 0.453412549689} Si2 3 1
8 {} {0.585004672252 0.453098064463 0.429312297219} O2 4 1
8 {} {0.316375208134 0.353070156712 0.666177479273} O3 5 1
14 {} {0.296860972789 0.516175047144 0.659196462841} Si3 6 1
14 {} {0.506136280342 0.596230656152 0.443935187848} Si4 7 1
1 {} {0.335577704333 0.103301348092 0.676346290341} H1 8 1
1 {} {0.222405884409 0.203698268572 0.481548247363} H2 9 1
1 {} {0.663273296012 0.237288070615 0.326575347409} H3 10 1
1 {} {0.709893270096 0.27845611695 0.563795683516} H4 11 1
1 {} {0.151853288732 0.549035572627 0.659670649754} H5 12 1
1 {} {0.367617354421 0.575370530727 0.775634534912} H6 13 1
1 {} {0.317034733027 0.916101580649 0.472451329093} H7 14 1
1 {} {0.476952238766 0.650040580456 0.308327263119} H8 15 1
1 {} {0.593003696456 0.689366070971 0.52146853315} H10 16 1
8 {} {0.36184807382 0.577017242676 0.520573927132} O 17 1
1 {} {0.286547332007 0.852760949027 0.499919854362} 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
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 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 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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